2-(2-bromophenyl)pentan-1-amine

C11H16BrN — CID 79449309

IUPAC2-(2-bromophenyl)pentan-1-amine
SMILESCCCC(CN)c1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-2-5-9(8-13)10-6-3-4-7-11(10)12/h3-4,6-7,9H,2,5,8,13H2,1H3
InChIKeyIIFRTSGGYJRPIY-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.29
Rot. Bonds4

About 2-(2-bromophenyl)pentan-1-amine

2-(2-bromophenyl)pentan-1-amine (PubChem CID 79449309) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)pentan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)pentan-1-amine
PubChem CID79449309
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name2-(2-bromophenyl)pentan-1-amine
SMILESCCCC(CN)c1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-2-5-9(8-13)10-6-3-4-7-11(10)12/h3-4,6-7,9H,2,5,8,13H2,1H3
InChIKeyIIFRTSGGYJRPIY-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromophenyl)pentan-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-(2-bromophenyl)-4-(4-methoxyphenoxy)butan-1-amine
CID 79436772
2-(2-bromophenyl)-5-phenoxypentan-1-amine
CID 79449306
2-phenylpentan-1-amine
CID 14321247
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050
1-bromo-2-(1-bromooctan-2-yl)benzene
CID 79454494
2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
CID 79449387
2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 112539075
1-(2-bromophenyl)hexan-1-amine
CID 62604682
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-4-amine
CID 81383471
2-(2-bromophenyl)-N-methylundecan-1-amine
CID 79448779
2-(2-methoxyphenyl)hexan-1-amine
CID 84753039
2-N-(2-bromophenyl)pentane-1,2-diamine
CID 65385114

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)pentan-1-amine?
The IUPAC name of 2-(2-bromophenyl)pentan-1-amine (CID 79449309) is 2-(2-bromophenyl)pentan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)pentan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)pentan-1-amine is CCCC(CN)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)pentan-1-amine?
The InChIKey is IIFRTSGGYJRPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-2-5-9(8-13)10-6-3-4-7-11(10)12/h3-4,6-7,9H,2,5,8,13H2,1H3.
What are the key properties of 2-(2-bromophenyl)pentan-1-amine?
2-(2-bromophenyl)pentan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)pentan-1-amine is sourced from PubChem (CID 79449309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).