(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H13Cl2NO — CID 104945093

IUPAC(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccccc2Cl)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H13Cl2NO/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-7,13,15H,8,18H2/t13-,15?/m1/s1
InChIKeyDIGROHBXAHNWBE-AFYYWNPRSA-N
MW294.18 g/mol
LogP4.52
Rot. Bonds1

About (4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945093) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is (4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945093
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccccc2Cl)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H13Cl2NO/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-7,13,15H,8,18H2/t13-,15?/m1/s1
InChIKeyDIGROHBXAHNWBE-AFYYWNPRSA-N
XLogP4.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944920
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
(4R)-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946067
(4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946447
6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709986
(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944424
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
(4S)-6-chloro-2-(3-chloro-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945215
(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104980311
6-chloro-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709097
(4S)-6-chloro-2-(1,3-dimethylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945327

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945093) is (4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2ccccc2Cl)Oc2ccc(Cl)cc21.
What is the InChIKey of (4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DIGROHBXAHNWBE-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-7,13,15H,8,18H2/t13-,15?/m1/s1.
What are the key properties of (4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 294.18 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).