(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine

C16H15Cl2NO2 — CID 104945215

IUPAC(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(C2C[C@H](N)c3cc(Cl)ccc3O2)cc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-20-15-4-2-9(6-12(15)18)16-8-13(19)11-7-10(17)3-5-14(11)21-16/h2-7,13,16H,8,19H2,1H3/t13-,16?/m0/s1
InChIKeyNPNVLXBINHVSKU-KNVGNIICSA-N
MW324.21 g/mol
LogP4.53
Rot. Bonds2

About (4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine

(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945215) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is (4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945215
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(C2C[C@H](N)c3cc(Cl)ccc3O2)cc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-20-15-4-2-9(6-12(15)18)16-8-13(19)11-7-10(17)3-5-14(11)21-16/h2-7,13,16H,8,19H2,1H3/t13-,16?/m0/s1
InChIKeyNPNVLXBINHVSKU-KNVGNIICSA-N
XLogP4.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
2-(4-bromo-3-methylphenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708916
(4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947108
4-[(4R)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-chlorophenol
CID 104946997
(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
(4S)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945210
(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945059

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945215) is (4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc(C2C[C@H](N)c3cc(Cl)ccc3O2)cc1Cl.
What is the InChIKey of (4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NPNVLXBINHVSKU-KNVGNIICSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-20-15-4-2-9(6-12(15)18)16-8-13(19)11-7-10(17)3-5-14(11)21-16/h2-7,13,16H,8,19H2,1H3/t13-,16?/m0/s1.
What are the key properties of (4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 324.21 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).