3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine

C15H22F3NO — CID 115782110

IUPAC3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-4-9-19-14(10-11(2)3)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11,14,19H,4,9-10H2,1-3H3
InChIKeyBUEFIMGTQAVLND-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.67
Rot. Bonds7

About 3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine

3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine (PubChem CID 115782110) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
PubChem CID115782110
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCCNC(CC(C)C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-4-9-19-14(10-11(2)3)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11,14,19H,4,9-10H2,1-3H3
InChIKeyBUEFIMGTQAVLND-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115832666
3-(propylamino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 65235458
1-(4-butoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 105083341
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
3-methyl-N-propyl-4-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 60995873
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine (CID 115782110) is 3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine is CCCNC(CC(C)C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine?
The InChIKey is BUEFIMGTQAVLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-9-19-14(10-11(2)3)12-5-7-13(8-6-12)20-15(16,17)18/h5-8,11,14,19H,4,9-10H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine?
3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-[4-(trifluoromethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 115782110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).