[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine

C100H107Cl4N7O9 — CID 162194106

IUPAC[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESCNC[C@H]1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1.COc1ccc(-c2cccc3c2O[C@H](CN)CC3)c(OC)c1.COc1ccccc1-c1cccc2c1O[C@H](CN)CC2.Cc1ccccc1-c1cccc2c1O[C@H](CN)CC2.NC[C@@H]1CCc2cccc(-c3cccnc3)c2O1.NC[C@H]1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C18H21NO3.C17H17Cl2NO.C17H19NO2.C17H19NO.C16H15Cl2NO.C15H16N2O/c1-20-13-8-9-15(17(10-13)21-2)16-5-3-4-12-6-7-14(11-19)22-18(12)16;1-20-10-12-9-8-11-4-2-5-13(17(11)21-12)16-14(18)6-3-7-15(16)19;1-19-16-8-3-2-6-14(16)15-7-4-5-12-9-10-13(11-18)20-17(12)15;1-12-5-2-3-7-15(12)16-8-4-6-13-9-10-14(11-18)19-17(13)16;17-13-5-2-6-14(18)15(13)12-4-1-3-10-7-8-11(9-19)20-16(10)12;16-9-13-7-6-11-3-1-5-14(15(11)18-13)12-4-2-8-17-10-12/h3-5,8-10,14H,6-7,11,19H2,1-2H3;2-7,12,20H,8-10H2,1H3;2-8,13H,9-11,18H2,1H3;2-8,14H,9-11,18H2,1H3;1-6,11H,7-9,19H2;1-5,8,10,13H,6-7,9,16H2/t14-;12-;13-;14-;11-;13-/m010010/s1
InChIKeyZQSDZOVUNSAYPI-MUSJRPDYSA-N
MW1692.81 g/mol
LogP20.64
Rot. Bonds16

About [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine

[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 162194106) has the molecular formula C100H107Cl4N7O9 and a molecular weight of 1692.81 g/mol. Its IUPAC name is [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID162194106
Molecular FormulaC100H107Cl4N7O9
Molecular Weight1692.81 g/mol
Exact Mass1689.69
IUPAC Name[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESCNC[C@H]1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1.COc1ccc(-c2cccc3c2O[C@H](CN)CC3)c(OC)c1.COc1ccccc1-c1cccc2c1O[C@H](CN)CC2.Cc1ccccc1-c1cccc2c1O[C@H](CN)CC2.NC[C@@H]1CCc2cccc(-c3cccnc3)c2O1.NC[C@H]1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1
InChIInChI=1S/C18H21NO3.C17H17Cl2NO.C17H19NO2.C17H19NO.C16H15Cl2NO.C15H16N2O/c1-20-13-8-9-15(17(10-13)21-2)16-5-3-4-12-6-7-14(11-19)22-18(12)16;1-20-10-12-9-8-11-4-2-5-13(17(11)21-12)16-14(18)6-3-7-15(16)19;1-19-16-8-3-2-6-14(16)15-7-4-5-12-9-10-13(11-18)20-17(12)15;1-12-5-2-3-7-15(12)16-8-4-6-13-9-10-14(11-18)19-17(13)16;17-13-5-2-6-14(18)15(13)12-4-1-3-10-7-8-11(9-19)20-16(10)12;16-9-13-7-6-11-3-1-5-14(15(11)18-13)12-4-2-8-17-10-12/h3-5,8-10,14H,6-7,11,19H2,1-2H3;2-7,12,20H,8-10H2,1H3;2-8,13H,9-11,18H2,1H3;2-8,14H,9-11,18H2,1H3;1-6,11H,7-9,19H2;1-5,8,10,13H,6-7,9,16H2/t14-;12-;13-;14-;11-;13-/m010010/s1
InChIKeyZQSDZOVUNSAYPI-MUSJRPDYSA-N
XLogP20.64
TPSA238.09 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001692.81
LogP ≤ 520.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine with MolForge

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Related Compounds

1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
CID 69117191
[(2R)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 15942465
[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 59664219
[(2S)-7-(2,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383363
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944
[7-(2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11219873
[(2S)-8-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
CID 69117647
[(2S)-8-(2-chloro-4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methanamine
CID 68550490
3-(2-methoxyphenyl)pyridine
CID 4133297
[(2S)-8-(2,5-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;hydrochloride
CID 69117417
3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45177695

Frequently Asked Questions

What is the IUPAC name of [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 162194106) is [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine is CNC[C@H]1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1.COc1ccc(-c2cccc3c2O[C@H](CN)CC3)c(OC)c1.COc1ccccc1-c1cccc2c1O[C@H](CN)CC2.Cc1ccccc1-c1cccc2c1O[C@H](CN)CC2.NC[C@@H]1CCc2cccc(-c3cccnc3)c2O1.NC[C@H]1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1.
What is the InChIKey of [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is ZQSDZOVUNSAYPI-MUSJRPDYSA-N. The full InChI is InChI=1S/C18H21NO3.C17H17Cl2NO.C17H19NO2.C17H19NO.C16H15Cl2NO.C15H16N2O/c1-20-13-8-9-15(17(10-13)21-2)16-5-3-4-12-6-7-14(11-19)22-18(12)16;1-20-10-12-9-8-11-4-2-5-13(17(11)21-12)16-14(18)6-3-7-15(16)19;1-19-16-8-3-2-6-14(16)15-7-4-5-12-9-10-13(11-18)20-17(12)15;1-12-5-2-3-7-15(12)16-8-4-6-13-9-10-14(11-18)19-17(13)16;17-13-5-2-6-14(18)15(13)12-4-1-3-10-7-8-11(9-19)20-16(10)12;16-9-13-7-6-11-3-1-5-14(15(11)18-13)12-4-2-8-17-10-12/h3-5,8-10,14H,6-7,11,19H2,1-2H3;2-7,12,20H,8-10H2,1H3;2-8,13H,9-11,18H2,1H3;2-8,14H,9-11,18H2,1H3;1-6,11H,7-9,19H2;1-5,8,10,13H,6-7,9,16H2/t14-;12-;13-;14-;11-;13-/m010010/s1.
What are the key properties of [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine?
[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 1692.81 g/mol, XLogP of 20.64, 16 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;1-[(2R)-8-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2S)-8-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine;[(2S)-8-pyridin-3-yl-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 162194106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).