N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine

C14H19BrClN — CID 83231090

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine
SMILESCC(NCc1ccc(Cl)c(Br)c1)C1CCCC1
InChIInChI=1S/C14H19BrClN/c1-10(12-4-2-3-5-12)17-9-11-6-7-14(16)13(15)8-11/h6-8,10,12,17H,2-5,9H2,1H3
InChIKeyJVCGFNQYAAJMTE-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.77
Rot. Bonds4

About N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine

N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine (PubChem CID 83231090) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine
PubChem CID83231090
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine
SMILESCC(NCc1ccc(Cl)c(Br)c1)C1CCCC1
InChIInChI=1S/C14H19BrClN/c1-10(12-4-2-3-5-12)17-9-11-6-7-14(16)13(15)8-11/h6-8,10,12,17H,2-5,9H2,1H3
InChIKeyJVCGFNQYAAJMTE-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
CID 81392983
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
CID 114987242
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine
CID 106816243
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]ethanamine
CID 63478348
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine (CID 83231090) is N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine is CC(NCc1ccc(Cl)c(Br)c1)C1CCCC1.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine?
The InChIKey is JVCGFNQYAAJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-10(12-4-2-3-5-12)17-9-11-6-7-14(16)13(15)8-11/h6-8,10,12,17H,2-5,9H2,1H3.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine?
N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine has a molecular weight of 316.67 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine is sourced from PubChem (CID 83231090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).