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

C17H28FN — CID 46212109

IUPACN-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCc1ccc(F)cc1
InChIInChI=1S/C17H28FN/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
InChIKeyOCLWDCRKXGPFTD-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.66
Rot. Bonds10

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

N-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine (PubChem CID 46212109) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is N-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine
PubChem CID46212109
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC NameN-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCc1ccc(F)cc1
InChIInChI=1S/C17H28FN/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
InChIKeyOCLWDCRKXGPFTD-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine (CID 46212109) is N-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine is CCCCN(CCCC)CCCc1ccc(F)cc1.
What is the InChIKey of N-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine?
The InChIKey is OCLWDCRKXGPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/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-fluorophenyl)propyl]butan-1-amine?
N-butyl-N-[3-(4-fluorophenyl)propyl]butan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 4.66, 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-fluorophenyl)propyl]butan-1-amine is sourced from PubChem (CID 46212109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).