1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine

C14H21BrClN — CID 115832972

IUPAC1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cccc(Br)c1Cl
InChIInChI=1S/C14H21BrClN/c1-3-5-9-13(17-10-4-2)11-7-6-8-12(15)14(11)16/h6-8,13,17H,3-5,9-10H2,1-2H3
InChIKeySVTBXCSSPFESCK-UHFFFAOYSA-N
MW318.69 g/mol
LogP5.33
Rot. Bonds7

About 1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine

1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine (PubChem CID 115832972) has the molecular formula C14H21BrClN and a molecular weight of 318.69 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
PubChem CID115832972
Molecular FormulaC14H21BrClN
Molecular Weight318.69 g/mol
Exact Mass317.05
IUPAC Name1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1cccc(Br)c1Cl
InChIInChI=1S/C14H21BrClN/c1-3-5-9-13(17-10-4-2)11-7-6-8-12(15)14(11)16/h6-8,13,17H,3-5,9-10H2,1-2H3
InChIKeySVTBXCSSPFESCK-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-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856
1-(3-bromo-2-chlorophenyl)-N-propylpent-3-yn-1-amine
CID 115819947
1-(2,3-dichlorophenyl)-N-propylnonan-1-amine
CID 115835415
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
1-(3-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024138
1-(2-chloro-3-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054857
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
1-(2-bromo-3-methylphenyl)-N-propylhexan-1-amine
CID 114024195
1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(3-bromo-2-methylphenyl)-N-ethylpentan-1-amine
CID 115832741
1-(2-tert-butylphenyl)-N-propylpentan-1-amine
CID 115832932
1-(2-bromo-4-chlorophenyl)-N-propylhexan-1-amine
CID 107992534

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine (CID 115832972) is 1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine is CCCCC(NCCC)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine?
The InChIKey is SVTBXCSSPFESCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClN/c1-3-5-9-13(17-10-4-2)11-7-6-8-12(15)14(11)16/h6-8,13,17H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine?
1-(3-bromo-2-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-2-chlorophenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 115832972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).