N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine

C16H23BrClN — CID 107991761

IUPACN-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1Br)C1CCCCC1
InChIInChI=1S/C16H23BrClN/c1-2-10-19-16(12-6-4-3-5-7-12)14-9-8-13(18)11-15(14)17/h8-9,11-12,16,19H,2-7,10H2,1H3
InChIKeyIGCFPBUBPXHNJO-UHFFFAOYSA-N
MW344.72 g/mol
LogP5.72
Rot. Bonds5

About N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine

N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine (PubChem CID 107991761) has the molecular formula C16H23BrClN and a molecular weight of 344.72 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
PubChem CID107991761
Molecular FormulaC16H23BrClN
Molecular Weight344.72 g/mol
Exact Mass343.07
IUPAC NameN-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1Br)C1CCCCC1
InChIInChI=1S/C16H23BrClN/c1-2-10-19-16(12-6-4-3-5-7-12)14-9-8-13(18)11-15(14)17/h8-9,11-12,16,19H,2-7,10H2,1H3
InChIKeyIGCFPBUBPXHNJO-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.72
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
1-(2-bromo-4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 107991787
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084
N-[(4-bromo-2-fluorophenyl)-cyclohexylmethyl]propan-1-amine
CID 114906699
N-[(3-bromo-5-chloro-2-methoxyphenyl)-cyclopentylmethyl]propan-1-amine
CID 43494075
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
N-[(3-bromo-2-methylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981055
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine (CID 107991761) is N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1Br)C1CCCCC1.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine?
The InChIKey is IGCFPBUBPXHNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClN/c1-2-10-19-16(12-6-4-3-5-7-12)14-9-8-13(18)11-15(14)17/h8-9,11-12,16,19H,2-7,10H2,1H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine?
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine has a molecular weight of 344.72 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine is sourced from PubChem (CID 107991761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).