[1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine

C13H18BrNO — CID 82831596

IUPAC[1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine
SMILESNCC1(OCc2ccccc2Br)CCCC1
InChIInChI=1S/C13H18BrNO/c14-12-6-2-1-5-11(12)9-16-13(10-15)7-3-4-8-13/h1-2,5-6H,3-4,7-10,15H2
InChIKeyQWGQEUJXXUMERO-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.24
Rot. Bonds4

About [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine

[1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine (PubChem CID 82831596) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine
PubChem CID82831596
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine
SMILESNCC1(OCc2ccccc2Br)CCCC1
InChIInChI=1S/C13H18BrNO/c14-12-6-2-1-5-11(12)9-16-13(10-15)7-3-4-8-13/h1-2,5-6H,3-4,7-10,15H2
InChIKeyQWGQEUJXXUMERO-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine 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-[(2-fluorophenyl)methoxy]cyclohexyl]methanamine
CID 63932626
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
methyl 2-[1-[(2-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272835
(2-bromophenyl)methyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 82823967
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273
[1-[(2-fluoro-3-methoxyphenyl)methoxy]cyclopentyl]methanamine
CID 104791155
[1-[(2-methylquinolin-4-yl)methoxy]cyclopentyl]methanamine
CID 79235311
[1-[(2-methylquinolin-4-yl)methoxy]cyclohexyl]methanamine
CID 79234344
1-[(2-bromophenyl)methyl]cyclooctan-1-amine
CID 80603079
[1-(pyridin-4-ylmethoxy)cyclopentyl]methanamine
CID 65050486
[1-(2,3-dihydro-1H-inden-5-ylmethoxy)cycloheptyl]methanamine
CID 65051582
[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117457397

Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine?
The IUPAC name of [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine (CID 82831596) is [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine?
The canonical SMILES for [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine is NCC1(OCc2ccccc2Br)CCCC1.
What is the InChIKey of [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine?
The InChIKey is QWGQEUJXXUMERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-6-2-1-5-11(12)9-16-13(10-15)7-3-4-8-13/h1-2,5-6H,3-4,7-10,15H2.
What are the key properties of [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine?
[1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine is sourced from PubChem (CID 82831596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).