2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine

C16H18BrNOS — CID 66054705

IUPAC2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
SMILESCOc1ccc(C(N)CSc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H18BrNOS/c1-11-9-13(19-2)5-8-15(11)16(18)10-20-14-6-3-12(17)4-7-14/h3-9,16H,10,18H2,1-2H3
InChIKeyHKFJABIMYLOXHE-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.56
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine

2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine (PubChem CID 66054705) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
PubChem CID66054705
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
SMILESCOc1ccc(C(N)CSc2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C16H18BrNOS/c1-11-9-13(19-2)5-8-15(11)16(18)10-20-14-6-3-12(17)4-7-14/h3-9,16H,10,18H2,1-2H3
InChIKeyHKFJABIMYLOXHE-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine 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

2-(4-bromophenyl)sulfanyl-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103433633
2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 66053846
1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine
CID 66054706
2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64622083
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093283
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine (CID 66054705) is 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine is COc1ccc(C(N)CSc2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine?
The InChIKey is HKFJABIMYLOXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-11-9-13(19-2)5-8-15(11)16(18)10-20-14-6-3-12(17)4-7-14/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine?
2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine has a molecular weight of 352.30 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine is sourced from PubChem (CID 66054705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).