N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride

C12H17BrClN — CID 17289669

IUPACN-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
SMILESBrc1ccc(CNC2CCCC2)cc1.Cl
InChIInChI=1S/C12H16BrN.ClH/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12;/h5-8,12,14H,1-4,9H2;1H
InChIKeyFKPFZDXQTPDCDP-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.90
Rot. Bonds3

About N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride

N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride (PubChem CID 17289669) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
PubChem CID17289669
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC NameN-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
SMILESBrc1ccc(CNC2CCCC2)cc1.Cl
InChIInChI=1S/C12H16BrN.ClH/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12;/h5-8,12,14H,1-4,9H2;1H
InChIKeyFKPFZDXQTPDCDP-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
4-[(cyclopentylamino)methyl]phenol
CID 3873791
N-[(4-bromophenyl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122665
benzene;N-benzylcyclohexanamine
CID 142622843
N-[[4-(dimethylamino)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17332385
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
N-[[2-[(4-bromophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755336
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride?
The IUPAC name of N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride (CID 17289669) is N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride.
What is the SMILES notation for N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride?
The canonical SMILES for N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride is Brc1ccc(CNC2CCCC2)cc1.Cl.
What is the InChIKey of N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride?
The InChIKey is FKPFZDXQTPDCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN.ClH/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12;/h5-8,12,14H,1-4,9H2;1H.
What are the key properties of N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride?
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride has a molecular weight of 290.63 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride is sourced from PubChem (CID 17289669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).