N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine

C17H26BrNS — CID 66160027

IUPACN-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(CSc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C17H26BrNS/c1-2-11-19-17(14-7-4-3-5-8-14)13-20-16-10-6-9-15(18)12-16/h6,9-10,12,14,17,19H,2-5,7-8,11,13H2,1H3
InChIKeyYKBZIHHNKQGUSP-UHFFFAOYSA-N
MW356.37 g/mol
LogP5.49
Rot. Bonds7

About N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine

N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine (PubChem CID 66160027) has the molecular formula C17H26BrNS and a molecular weight of 356.37 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
PubChem CID66160027
Molecular FormulaC17H26BrNS
Molecular Weight356.37 g/mol
Exact Mass355.10
IUPAC NameN-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
SMILESCCCNC(CSc1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C17H26BrNS/c1-2-11-19-17(14-7-4-3-5-8-14)13-20-16-10-6-9-15(18)12-16/h6,9-10,12,14,17,19H,2-5,7-8,11,13H2,1H3
InChIKeyYKBZIHHNKQGUSP-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-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

[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]hydrazine
CID 105238366
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(3-methylcyclohexyl)ethanamine
CID 66159625
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
2-(3-bromophenyl)sulfanyl-1-cycloheptylethanol
CID 82932372
N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66087010
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297
[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
CID 105238338
2-(3-chlorophenyl)sulfanyl-1-cycloheptyl-N-methylethanamine
CID 82931115
2-(3-chlorophenyl)sulfanyl-1-cyclohexyl-N-methylethanamine
CID 66147681
N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine (CID 66160027) is N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine is CCCNC(CSc1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine?
The InChIKey is YKBZIHHNKQGUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNS/c1-2-11-19-17(14-7-4-3-5-8-14)13-20-16-10-6-9-15(18)12-16/h6,9-10,12,14,17,19H,2-5,7-8,11,13H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine?
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine has a molecular weight of 356.37 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine is sourced from PubChem (CID 66160027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).