trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine

C13H18BrN — CID 95376467

IUPACtrans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESC[C@H]1CC[C@H](NCc2ccccc2Br)C1
InChIInChI=1S/C13H18BrN/c1-10-6-7-12(8-10)15-9-11-4-2-3-5-13(11)14/h2-5,10,12,15H,6-9H2,1H3/t10-,12-/m0/s1
InChIKeyFKEMKFHGWMEAAH-JQWIXIFHSA-N
MW268.20 g/mol
LogP3.73
Rot. Bonds3

About trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine

trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 95376467) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID95376467
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Nametrans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
SMILESC[C@H]1CC[C@H](NCc2ccccc2Br)C1
InChIInChI=1S/C13H18BrN/c1-10-6-7-12(8-10)15-9-11-4-2-3-5-13(11)14/h2-5,10,12,15H,6-9H2,1H3/t10-,12-/m0/s1
InChIKeyFKEMKFHGWMEAAH-JQWIXIFHSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-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

cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
2-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114543904
3-N-[(2-bromophenyl)methyl]cyclopentane-1,3-diamine
CID 79462657
N-[(2-bromo-3-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 114048779
3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine
CID 114547274
methyl 3-bromo-4-[[(3-methylcyclopentyl)amino]methyl]benzoate
CID 102766910
N-[(2-bromophenyl)methyl]oxetan-3-amine
CID 56604682
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
4-[(2-bromophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810049
N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 63454059
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 66160263
2-bromo-N-(3-methylcyclopentyl)aniline
CID 64501645

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine (CID 95376467) is trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine is C[C@H]1CC[C@H](NCc2ccccc2Br)C1.
What is the InChIKey of trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is FKEMKFHGWMEAAH-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10-6-7-12(8-10)15-9-11-4-2-3-5-13(11)14/h2-5,10,12,15H,6-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine?
trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 95376467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).