1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine

C16H25BrClN — CID 107994927

IUPAC1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccc(Cl)cc1Br
InChIInChI=1S/C16H25BrClN/c1-4-10-19-16(7-5-6-12(2)3)14-9-8-13(18)11-15(14)17/h8-9,11-12,16,19H,4-7,10H2,1-3H3
InChIKeyQOMLNNGZDSZNMP-UHFFFAOYSA-N
MW346.74 g/mol
LogP5.97
Rot. Bonds8

About 1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine

1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine (PubChem CID 107994927) has the molecular formula C16H25BrClN and a molecular weight of 346.74 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine
PubChem CID107994927
Molecular FormulaC16H25BrClN
Molecular Weight346.74 g/mol
Exact Mass345.09
IUPAC Name1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ccc(Cl)cc1Br
InChIInChI=1S/C16H25BrClN/c1-4-10-19-16(7-5-6-12(2)3)14-9-8-13(18)11-15(14)17/h8-9,11-12,16,19H,4-7,10H2,1-3H3
InChIKeyQOMLNNGZDSZNMP-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.74
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine
CID 107992534
1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028577
1-(2-bromo-4-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107993677
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
1-(4-chloro-2-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 114028349
1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
1-(2-bromo-4-methylphenyl)-N-propyloctan-1-amine
CID 115832077
1-(4-bromo-2,6-difluorophenyl)-5-methyl-N-propylhexan-1-amine
CID 105028858
1-(2-chloro-4-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 106857235
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
1-(5-chloro-2-methylphenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865190
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine (CID 107994927) is 1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is QOMLNNGZDSZNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrClN/c1-4-10-19-16(7-5-6-12(2)3)14-9-8-13(18)11-15(14)17/h8-9,11-12,16,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine?
1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 346.74 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 107994927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).