1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride

C18H22ClNO2 — CID 69117191

IUPAC1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNC[C@@H]1CCc2cccc(-c3ccccc3OC)c2O1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-19-12-14-11-10-13-6-5-8-16(18(13)21-14)15-7-3-4-9-17(15)20-2;/h3-9,14,19H,10-12H2,1-2H3;1H/t14-;/m0./s1
InChIKeyHIWNFLXBUJJUOP-UQKRIMTDSA-N
MW319.83 g/mol
LogP3.70
Rot. Bonds4

About 1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride

1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 69117191) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID69117191
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNC[C@@H]1CCc2cccc(-c3ccccc3OC)c2O1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-19-12-14-11-10-13-6-5-8-16(18(13)21-14)15-7-3-4-9-17(15)20-2;/h3-9,14,19H,10-12H2,1-2H3;1H/t14-;/m0./s1
InChIKeyHIWNFLXBUJJUOP-UQKRIMTDSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(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
[(2R)-6-chloro-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 59664219
1-[(2R)-6-fluoro-8-phenyl-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
CID 69117687
1-[(2R)-7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 11964408
[7-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate
CID 86599090
N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 12047590
1-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylmethanamine
CID 112547016
1-(8-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylmethanamine
CID 84620735
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944
[5-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002315
1-[5-chloro-7-(5-chloro-2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 68961665

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride (CID 69117191) is 1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride is CNC[C@@H]1CCc2cccc(-c3ccccc3OC)c2O1.Cl.
What is the InChIKey of 1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is HIWNFLXBUJJUOP-UQKRIMTDSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-19-12-14-11-10-13-6-5-8-16(18(13)21-14)15-7-3-4-9-17(15)20-2;/h3-9,14,19H,10-12H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride?
1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 69117191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).