N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine

C13H18BrN — CID 43317301

IUPACN-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
SMILESBrc1ccc(CNCC2CCCC2)cc1
InChIInChI=1S/C13H18BrN/c14-13-7-5-12(6-8-13)10-15-9-11-3-1-2-4-11/h5-8,11,15H,1-4,9-10H2
InChIKeyLHNCNEXRMRNZCK-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.73
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine

N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine (PubChem CID 43317301) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
PubChem CID43317301
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC NameN-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
SMILESBrc1ccc(CNCC2CCCC2)cc1
InChIInChI=1S/C13H18BrN/c14-13-7-5-12(6-8-13)10-15-9-11-3-1-2-4-11/h5-8,11,15H,1-4,9-10H2
InChIKeyLHNCNEXRMRNZCK-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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Related Compounds

N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123141
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
1-[(4-bromophenyl)methylamino]-3-cyclopentylpropan-2-ol
CID 103157168
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
N-[(4-bromophenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131239
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
4-[(cyclooctylmethylamino)methyl]benzoic acid
CID 122030513
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
4-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212787

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine (CID 43317301) is N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine is Brc1ccc(CNCC2CCCC2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine?
The InChIKey is LHNCNEXRMRNZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c14-13-7-5-12(6-8-13)10-15-9-11-3-1-2-4-11/h5-8,11,15H,1-4,9-10H2.
What are the key properties of N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine?
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine has a molecular weight of 268.20 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine is sourced from PubChem (CID 43317301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).