4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine

C14H20F3NO — CID 81342777

IUPAC4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
SMILESCCC(NCCCC(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C14H20F3NO/c1-3-13(18-10-4-9-14(15,16)17)11-5-7-12(19-2)8-6-11/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyURSUYYYYWQOBPH-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.08
Rot. Bonds7

About 4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine

4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine (PubChem CID 81342777) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
PubChem CID81342777
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine
SMILESCCC(NCCCC(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C14H20F3NO/c1-3-13(18-10-4-9-14(15,16)17)11-5-7-12(19-2)8-6-11/h5-8,13,18H,3-4,9-10H2,1-2H3
InChIKeyURSUYYYYWQOBPH-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63828903
5-[1-(4-methoxyphenyl)propylamino]pentan-1-ol
CID 113350455
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-(3-ethylsulfanylpropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 115899650
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
N-(3-ethenoxypropyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43207314
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
2,6-difluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43123944

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine (CID 81342777) is 4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine is CCC(NCCCC(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine?
The InChIKey is URSUYYYYWQOBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-13(18-10-4-9-14(15,16)17)11-5-7-12(19-2)8-6-11/h5-8,13,18H,3-4,9-10H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine?
4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(4-methoxyphenyl)propyl]butan-1-amine is sourced from PubChem (CID 81342777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).