2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine

C16H24BrNS — CID 66161382

IUPAC2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine
SMILESCCC1CCC(C(N)CSc2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrNS/c1-2-12-6-8-13(9-7-12)16(18)11-19-15-5-3-4-14(17)10-15/h3-5,10,12-13,16H,2,6-9,11,18H2,1H3
InChIKeyVNUUHBGFZUWZHB-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.08
Rot. Bonds5

About 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine

2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine (PubChem CID 66161382) has the molecular formula C16H24BrNS and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine
PubChem CID66161382
Molecular FormulaC16H24BrNS
Molecular Weight342.35 g/mol
Exact Mass341.08
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine
SMILESCCC1CCC(C(N)CSc2cccc(Br)c2)CC1
InChIInChI=1S/C16H24BrNS/c1-2-12-6-8-13(9-7-12)16(18)11-19-15-5-3-4-14(17)10-15/h3-5,10,12-13,16H,2,6-9,11,18H2,1H3
InChIKeyVNUUHBGFZUWZHB-UHFFFAOYSA-N
XLogP5.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)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

1-(3-bromophenyl)sulfanyl-3-cyclopentylpropan-2-ol
CID 66145491
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
1-(3-bromophenyl)sulfanylundecan-2-amine
CID 66161373
1-cycloheptyl-2-(3-fluorophenyl)sulfanylethanamine
CID 82932599
[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
2-(3-bromophenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64634756
2-(3-bromophenyl)sulfanyl-1-(2,6-difluorophenyl)ethanamine
CID 66161377
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
CID 105238338
1-bromo-3-[2-(bromomethyl)butylsulfanyl]benzene
CID 64999963
1-cyclohexyl-2-(3,4-dimethylphenyl)sulfanylethanamine
CID 104755358
1-(3-bromophenyl)sulfanyl-3,5-dimethylhexan-2-amine
CID 114284878

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine (CID 66161382) is 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine is CCC1CCC(C(N)CSc2cccc(Br)c2)CC1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine?
The InChIKey is VNUUHBGFZUWZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNS/c1-2-12-6-8-13(9-7-12)16(18)11-19-15-5-3-4-14(17)10-15/h3-5,10,12-13,16H,2,6-9,11,18H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine?
2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine has a molecular weight of 342.35 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanamine is sourced from PubChem (CID 66161382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).