2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine

C14H20BrN — CID 115876148

IUPAC2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
SMILESCC(CNCC1CCC1)c1cccc(Br)c1
InChIInChI=1S/C14H20BrN/c1-11(9-16-10-12-4-2-5-12)13-6-3-7-14(15)8-13/h3,6-8,11-12,16H,2,4-5,9-10H2,1H3
InChIKeyFJQQQSZSWCFZMS-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.94
Rot. Bonds5

About 2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine

2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine (PubChem CID 115876148) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
PubChem CID115876148
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
SMILESCC(CNCC1CCC1)c1cccc(Br)c1
InChIInChI=1S/C14H20BrN/c1-11(9-16-10-12-4-2-5-12)13-6-3-7-14(15)8-13/h3,6-8,11-12,16H,2,4-5,9-10H2,1H3
InChIKeyFJQQQSZSWCFZMS-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
CID 115875991
4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961922
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472
(1S)-1-(3-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81382312
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine
CID 115876821
N-(cyclobutylmethyl)-2,2-diphenylethanamine
CID 107292720
(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81382309
(1R)-1-(3-bromophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 98487940
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
N-(cyclopentylmethyl)-2-thiophen-3-ylpropan-1-amine
CID 115907862

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine (CID 115876148) is 2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine is CC(CNCC1CCC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine?
The InChIKey is FJQQQSZSWCFZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11(9-16-10-12-4-2-5-12)13-6-3-7-14(15)8-13/h3,6-8,11-12,16H,2,4-5,9-10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine?
2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine is sourced from PubChem (CID 115876148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).