[1-(4-bromophenyl)cyclopentyl]methanamine

C12H16BrN — CID 43119067

IUPAC[1-(4-bromophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C12H16BrN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2
InChIKeyVEGUIFKLZDKBJV-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.22
Rot. Bonds2

About [1-(4-bromophenyl)cyclopentyl]methanamine

[1-(4-bromophenyl)cyclopentyl]methanamine (PubChem CID 43119067) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is [1-(4-bromophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-bromophenyl)cyclopentyl]methanamine
PubChem CID43119067
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name[1-(4-bromophenyl)cyclopentyl]methanamine
SMILESNCC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C12H16BrN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2
InChIKeyVEGUIFKLZDKBJV-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-(4-bromophenyl)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

[3-(4-bromophenyl)oxan-3-yl]methanamine
CID 83826005
[4-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanone
CID 84608781
1-bromo-4-[1-(chloromethyl)cyclohexyl]benzene
CID 82094186
1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene
CID 84730103
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
3-(aminomethyl)-3-(4-bromophenyl)cyclobutan-1-one
CID 64904192
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[4-(4-bromophenyl)-1-cyclopropylpiperidin-4-yl]methanamine
CID 82308791
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
[1-(4-bromo-3-fluorophenyl)cyclopentyl]methanamine
CID 117432913
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-bromophenyl)cyclopentyl]methanamine (CID 43119067) is [1-(4-bromophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-bromophenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-bromophenyl)cyclopentyl]methanamine is NCC1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of [1-(4-bromophenyl)cyclopentyl]methanamine?
The InChIKey is VEGUIFKLZDKBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-11-5-3-10(4-6-11)12(9-14)7-1-2-8-12/h3-6H,1-2,7-9,14H2.
What are the key properties of [1-(4-bromophenyl)cyclopentyl]methanamine?
[1-(4-bromophenyl)cyclopentyl]methanamine has a molecular weight of 254.17 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 43119067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).