N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine

C12H15BrClN — CID 60984566

IUPACN-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
SMILESClc1cc(Br)ccc1CNC1CCCC1
InChIInChI=1S/C12H15BrClN/c13-10-6-5-9(12(14)7-10)8-15-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2
InChIKeyBIRCEANXAXDIRS-UHFFFAOYSA-N
MW288.62 g/mol
LogP4.13
Rot. Bonds3

About N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine

N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine (PubChem CID 60984566) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
PubChem CID60984566
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
SMILESClc1cc(Br)ccc1CNC1CCCC1
InChIInChI=1S/C12H15BrClN/c13-10-6-5-9(12(14)7-10)8-15-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2
InChIKeyBIRCEANXAXDIRS-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dibromophenyl)methyl]cyclopentanamine
CID 107938680
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
N-[(4-bromo-2-chlorophenyl)methyl]oxolan-3-amine
CID 115688940
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
CID 170453756
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-cyclohexylethanamine
CID 104862320
N-[(2,5-dibromophenyl)methyl]cyclobutanamine
CID 130682714
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049
N-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104588029
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331546
N-[(4-bromo-2-chlorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701411

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine (CID 60984566) is N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine is Clc1cc(Br)ccc1CNC1CCCC1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine?
The InChIKey is BIRCEANXAXDIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/c13-10-6-5-9(12(14)7-10)8-15-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine?
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine has a molecular weight of 288.62 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 60984566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).