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

C15H23BrClN — CID 107992534

IUPAC1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H23BrClN/c1-3-5-6-7-15(18-10-4-2)13-9-8-12(17)11-14(13)16/h8-9,11,15,18H,3-7,10H2,1-2H3
InChIKeyYUERFERSADUZMH-UHFFFAOYSA-N
MW332.71 g/mol
LogP5.72
Rot. Bonds8

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

1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine (PubChem CID 107992534) has the molecular formula C15H23BrClN and a molecular weight of 332.71 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine
PubChem CID107992534
Molecular FormulaC15H23BrClN
Molecular Weight332.71 g/mol
Exact Mass331.07
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1ccc(Cl)cc1Br
InChIInChI=1S/C15H23BrClN/c1-3-5-6-7-15(18-10-4-2)13-9-8-12(17)11-14(13)16/h8-9,11,15,18H,3-7,10H2,1-2H3
InChIKeyYUERFERSADUZMH-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.71
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine
CID 107994927
1-(2,4-dibromophenyl)-N-propylheptan-1-amine
CID 107945392
1-(2-bromo-4-methylphenyl)-N-propyloctan-1-amine
CID 115832077
1-(2-bromo-4-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107993677
1-(4-bromo-5-chloro-2-fluorophenyl)-N-propylheptan-1-amine
CID 105399125
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
1-(2-chloro-4-methylphenyl)-N-propyloctan-1-amine
CID 106857214
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(2,4-dibromophenyl)-N-ethylnonan-1-amine
CID 107945403
1-(5-chloro-2-methylphenyl)-N-ethylhexan-1-amine
CID 115837624
1-(4-chloro-2-fluorophenyl)-N-ethylhexan-1-amine
CID 63417997
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine (CID 107992534) is 1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine is CCCCCC(NCCC)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine?
The InChIKey is YUERFERSADUZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClN/c1-3-5-6-7-15(18-10-4-2)13-9-8-12(17)11-14(13)16/h8-9,11,15,18H,3-7,10H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine?
1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine has a molecular weight of 332.71 g/mol, XLogP of 5.72, 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)-N-propylhexan-1-amine is sourced from PubChem (CID 107992534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).