2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol

C12H16BrNOS — CID 150376026

IUPAC2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol
SMILESNCc1ccc(SC2CCCC2O)c(Br)c1
InChIInChI=1S/C12H16BrNOS/c13-9-6-8(7-14)4-5-11(9)16-12-3-1-2-10(12)15/h4-6,10,12,15H,1-3,7,14H2
InChIKeyGYSFZKWPCGQQIB-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.91
Rot. Bonds3

About 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol

2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol (PubChem CID 150376026) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol
PubChem CID150376026
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol
SMILESNCc1ccc(SC2CCCC2O)c(Br)c1
InChIInChI=1S/C12H16BrNOS/c13-9-6-8(7-14)4-5-11(9)16-12-3-1-2-10(12)15/h4-6,10,12,15H,1-3,7,14H2
InChIKeyGYSFZKWPCGQQIB-UHFFFAOYSA-N
XLogP2.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol 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

(3-bromo-4-cyclohexylsulfanylphenyl)methanamine
CID 82809229
(3-bromo-4-ethylsulfanylphenyl)methanamine
CID 82810180
(3-bromo-4-propylsulfanylphenyl)methanamine
CID 82810290
4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol
CID 117463287
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-bromophenyl]methanamine
CID 82794484
trans-(1S,2S)-2-(3-bromophenyl)sulfanylcyclohexan-1-ol
CID 67808949
[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
CID 162330321
(3-bromo-4-pyridin-4-ylsulfanylphenyl)methanamine
CID 82809728
4-(aminomethyl)-2-bromo-N-cyclopentyl-N-ethylaniline
CID 82794328
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(3-methylbutyl)cyclopentanamine
CID 102771592

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol?
The IUPAC name of 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol (CID 150376026) is 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol.
What is the SMILES notation for 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol?
The canonical SMILES for 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol is NCc1ccc(SC2CCCC2O)c(Br)c1.
What is the InChIKey of 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol?
The InChIKey is GYSFZKWPCGQQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c13-9-6-8(7-14)4-5-11(9)16-12-3-1-2-10(12)15/h4-6,10,12,15H,1-3,7,14H2.
What are the key properties of 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol?
2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol has a molecular weight of 302.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol is sourced from PubChem (CID 150376026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).