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

C16H15BrClNO2 — CID 104946930

IUPAC(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC(c1ccc(Cl)cc1Br)O2
InChIInChI=1S/C16H15BrClNO2/c1-20-10-3-5-15-12(7-10)14(19)8-16(21-15)11-4-2-9(18)6-13(11)17/h2-7,14,16H,8,19H2,1H3/t14-,16?/m0/s1
InChIKeyYMXCCSBPNWYROO-LBAUFKAWSA-N
MW368.66 g/mol
LogP4.63
Rot. Bonds2

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

(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946930) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is (4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946930
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC(c1ccc(Cl)cc1Br)O2
InChIInChI=1S/C16H15BrClNO2/c1-20-10-3-5-15-12(7-10)14(19)8-16(21-15)11-4-2-9(18)6-13(11)17/h2-7,14,16H,8,19H2,1H3/t14-,16?/m0/s1
InChIKeyYMXCCSBPNWYROO-LBAUFKAWSA-N
XLogP4.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709925
2-(4-bromo-5-methylthiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846073
(4R)-2-(5-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104980319
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
(4R)-2-(2,6-difluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947106
(4S)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404455
(4R)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404456
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846101
(4R)-2-(4-chloro-3-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947108
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
(4S)-2-(3,5-dibromo-2-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946759
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 102846110

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104946930) is (4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)[C@@H](N)CC(c1ccc(Cl)cc1Br)O2.
What is the InChIKey of (4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YMXCCSBPNWYROO-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-20-10-3-5-15-12(7-10)14(19)8-16(21-15)11-4-2-9(18)6-13(11)17/h2-7,14,16H,8,19H2,1H3/t14-,16?/m0/s1.
What are the key properties of (4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 368.66 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).