1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine

C14H21BrClN — CID 115567747

IUPAC1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H21BrClN/c1-3-5-6-14(17-9-4-2)11-7-8-13(16)12(15)10-11/h7-8,10,14,17H,3-6,9H2,1-2H3
InChIKeyUVZKOKBUZFHNQB-UHFFFAOYSA-N
MW318.69 g/mol
LogP5.33
Rot. Bonds7

About 1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine

1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine (PubChem CID 115567747) has the molecular formula C14H21BrClN and a molecular weight of 318.69 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
PubChem CID115567747
Molecular FormulaC14H21BrClN
Molecular Weight318.69 g/mol
Exact Mass317.05
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H21BrClN/c1-3-5-6-14(17-9-4-2)11-7-8-13(16)12(15)10-11/h7-8,10,14,17H,3-6,9H2,1-2H3
InChIKeyUVZKOKBUZFHNQB-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.69
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115567795
1-(3-bromo-4-chlorophenyl)-N-ethyloctan-1-amine
CID 115567420
1-(3-bromo-4-chlorophenyl)-N-methylhexan-1-amine
CID 115567316
1-(3-bromo-4-chlorophenyl)-N-ethylbutan-1-amine
CID 115567637
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
CID 171222556
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine
CID 115832612
N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 115567846
1-(3-bromo-4-chlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 115567963
1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530643
1-(3-bromo-4-methoxyphenyl)-N-propylheptan-1-amine
CID 114752425

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine (CID 115567747) is 1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine is CCCCC(NCCC)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine?
The InChIKey is UVZKOKBUZFHNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN/c1-3-5-6-14(17-9-4-2)11-7-8-13(16)12(15)10-11/h7-8,10,14,17H,3-6,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine?
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine has a molecular weight of 318.69 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 115567747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).