(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H16BrNO2 — CID 104944586

IUPAC(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1ccc(Br)cc1)C[C@@H]2N
InChIInChI=1S/C16H16BrNO2/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,14-15H,9,18H2,1H3/t14-,15?/m0/s1
InChIKeyBKAMGFSIYUXKNV-MLCCFXAWSA-N
MW334.21 g/mol
LogP3.98
Rot. Bonds2

About (4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944586) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is (4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944586
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(c1ccc(Br)cc1)C[C@@H]2N
InChIInChI=1S/C16H16BrNO2/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,14-15H,9,18H2,1H3/t14-,15?/m0/s1
InChIKeyBKAMGFSIYUXKNV-MLCCFXAWSA-N
XLogP3.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-2-(4-bromophenyl)-7-methoxy-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

(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806
4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
CID 114708803
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944865
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
(4S)-2-(2-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944590
(4R)-2-(4-chloro-3-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944903
(4R)-7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945465
7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709213
5-[(4S)-4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
CID 104945739
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104944586) is (4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(c1ccc(Br)cc1)C[C@@H]2N.
What is the InChIKey of (4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BKAMGFSIYUXKNV-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-8,14-15H,9,18H2,1H3/t14-,15?/m0/s1.
What are the key properties of (4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 334.21 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).