[(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine

C16H13Cl2F2NO — CID 15940471

IUPAC[(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2cccc(-c3c(Cl)c(F)cc(F)c3Cl)c2O1
InChIInChI=1S/C16H13Cl2F2NO/c17-14-11(19)6-12(20)15(18)13(14)10-3-1-2-8-4-5-9(7-21)22-16(8)10/h1-3,6,9H,4-5,7,21H2/t9-/m1/s1
InChIKeyZQIOFDPPKTULRG-SECBINFHSA-N
MW344.19 g/mol
LogP4.59
Rot. Bonds2

About [(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine

[(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 15940471) has the molecular formula C16H13Cl2F2NO and a molecular weight of 344.19 g/mol. Its IUPAC name is [(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID15940471
Molecular FormulaC16H13Cl2F2NO
Molecular Weight344.19 g/mol
Exact Mass343.03
IUPAC Name[(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2cccc(-c3c(Cl)c(F)cc(F)c3Cl)c2O1
InChIInChI=1S/C16H13Cl2F2NO/c17-14-11(19)6-12(20)15(18)13(14)10-3-1-2-8-4-5-9(7-21)22-16(8)10/h1-3,6,9H,4-5,7,21H2/t9-/m1/s1
InChIKeyZQIOFDPPKTULRG-SECBINFHSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[7-(2,4-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 16226461
[7-(2,4-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11404165
(+/-)-{[7-(2,6-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}methylamine
CID 15941779
[7-(2,3-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11151088
[5-Chloro-7-(2,5-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11220163
[5-Chloro-7-(2,3-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11243396
[5-Chloro-7-(3,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11243397
(+/-)-N-{[7-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl}propan-1-amine
CID 11268230
(+/-)-1-[7-(2-Chlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11288935
[5-Chloro-7-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11335421
[7-(2,5-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11370363
[5-Chloro-7-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11370364

Frequently Asked Questions

What is the IUPAC name of [(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of [(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 15940471) is [(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for [(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for [(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine is NC[C@H]1CCc2cccc(-c3c(Cl)c(F)cc(F)c3Cl)c2O1.
What is the InChIKey of [(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is ZQIOFDPPKTULRG-SECBINFHSA-N. The full InChI is InChI=1S/C16H13Cl2F2NO/c17-14-11(19)6-12(20)15(18)13(14)10-3-1-2-8-4-5-9(7-21)22-16(8)10/h1-3,6,9H,4-5,7,21H2/t9-/m1/s1.
What are the key properties of [(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
[(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 344.19 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-8-(2,6-dichloro-3,5-difluorophenyl)-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 15940471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).