(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine

C16H15BrClNO — CID 104946460

IUPAC(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC(c1ccc(Br)cc1Cl)O2
InChIInChI=1S/C16H15BrClNO/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-4-3-10(17)7-13(11)18/h2-7,14,16H,8,19H2,1H3/t14-,16?/m0/s1
InChIKeyMERNXUDHQDFQKU-LBAUFKAWSA-N
MW352.66 g/mol
LogP4.93
Rot. Bonds1

About (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946460) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946460
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC(c1ccc(Br)cc1Cl)O2
InChIInChI=1S/C16H15BrClNO/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-4-3-10(17)7-13(11)18/h2-7,14,16H,8,19H2,1H3/t14-,16?/m0/s1
InChIKeyMERNXUDHQDFQKU-LBAUFKAWSA-N
XLogP4.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946447
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709925
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
(4R)-2-(4-chloro-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104980344
(4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946462
(4R)-6-bromo-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947376
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947544
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946698
(4R)-2-(2,6-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946645
2-(4-fluoro-2-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709770

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104946460) is (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)[C@@H](N)CC(c1ccc(Br)cc1Cl)O2.
What is the InChIKey of (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MERNXUDHQDFQKU-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-9-2-5-15-12(6-9)14(19)8-16(20-15)11-4-3-10(17)7-13(11)18/h2-7,14,16H,8,19H2,1H3/t14-,16?/m0/s1.
What are the key properties of (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 352.66 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).