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

C16H15Cl2NO — CID 104946447

IUPAC(4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC(c1ccc(Cl)cc1Cl)O2
InChIInChI=1S/C16H15Cl2NO/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
InChIKeyBJTBNGOLLAQJBT-LBAUFKAWSA-N
MW308.21 g/mol
LogP4.83
Rot. Bonds1

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

(4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946447) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is (4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946447
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name(4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC(c1ccc(Cl)cc1Cl)O2
InChIInChI=1S/C16H15Cl2NO/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
InChIKeyBJTBNGOLLAQJBT-LBAUFKAWSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(4-chloro-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104980344
(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946460
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
(4R)-6-chloro-2-(2-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945093
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405
(4S)-2-(2-chloro-6-methoxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946462
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
6-chloro-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709097
(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946698
(4R)-6-chloro-2-(2,6-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944920

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104946447) is (4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)[C@@H](N)CC(c1ccc(Cl)cc1Cl)O2.
What is the InChIKey of (4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BJTBNGOLLAQJBT-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H15Cl2NO/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-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 308.21 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2,4-dichlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).