N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine

C17H28ClN — CID 151532022

IUPACN-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCc1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-3-5-13-19(14-6-4-2)15-7-8-16-9-11-17(18)12-10-16/h9-12H,3-8,13-15H2,1-2H3
InChIKeyPWRJCLBLSJUPAC-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.17
Rot. Bonds10

About N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine

N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine (PubChem CID 151532022) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
PubChem CID151532022
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC NameN-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCc1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-3-5-13-19(14-6-4-2)15-7-8-16-9-11-17(18)12-10-16/h9-12H,3-8,13-15H2,1-2H3
InChIKeyPWRJCLBLSJUPAC-UHFFFAOYSA-N
XLogP5.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 111487786
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1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane
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2-[butyl-[3-(4-methylphenyl)propyl]amino]ethanol
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N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
N,4-dibutyl-N-methylaniline
CID 118183375
1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
N-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine (CID 151532022) is N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine is CCCCN(CCCC)CCCc1ccc(Cl)cc1.
What is the InChIKey of N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine?
The InChIKey is PWRJCLBLSJUPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-3-5-13-19(14-6-4-2)15-7-8-16-9-11-17(18)12-10-16/h9-12H,3-8,13-15H2,1-2H3.
What are the key properties of N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine?
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine is sourced from PubChem (CID 151532022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).