1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine

C17H20BrNS — CID 66160000

IUPAC1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)CSc2cccc(Br)c2)cc1C
InChIInChI=1S/C17H20BrNS/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10,16H,9,11,19H2,1-2H3
InChIKeyLUBAFBKMKWQXKY-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.73
Rot. Bonds5

About 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine

1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine (PubChem CID 66160000) has the molecular formula C17H20BrNS and a molecular weight of 350.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
PubChem CID66160000
Molecular FormulaC17H20BrNS
Molecular Weight350.33 g/mol
Exact Mass349.05
IUPAC Name1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)CSc2cccc(Br)c2)cc1C
InChIInChI=1S/C17H20BrNS/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10,16H,9,11,19H2,1-2H3
InChIKeyLUBAFBKMKWQXKY-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-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

1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66146632
1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
CID 66159414
1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802808
1-[4-(3-bromophenyl)sulfanyl-3-methylphenyl]butan-2-amine
CID 63819363
1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131827
1-(3-bromophenyl)sulfanylundecan-2-amine
CID 66161373
1-(3-bromophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876943
1-(3-bromophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 66160983
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951
1-(3-bromophenyl)sulfanyl-5-methoxypentan-2-amine
CID 114856105
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
1-(3-bromophenyl)sulfanylhex-5-yn-2-amine
CID 66159023

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine (CID 66160000) is 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine is Cc1ccc(CC(N)CSc2cccc(Br)c2)cc1C.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine?
The InChIKey is LUBAFBKMKWQXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNS/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10,16H,9,11,19H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine?
1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine has a molecular weight of 350.33 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 66160000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).