3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine

C15H22F3N — CID 115852178

IUPAC3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCC(CC(N)c1ccc(C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C15H22F3N/c1-10(14(2,3)4)9-13(19)11-5-7-12(8-6-11)15(16,17)18/h5-8,10,13H,9,19H2,1-4H3
InChIKeyNNRWJIQSBLWFAR-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.78
Rot. Bonds3

About 3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine

3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine (PubChem CID 115852178) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine.

Molecular Properties

Compound Name3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
PubChem CID115852178
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCC(CC(N)c1ccc(C(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C15H22F3N/c1-10(14(2,3)4)9-13(19)11-5-7-12(8-6-11)15(16,17)18/h5-8,10,13H,9,19H2,1-4H3
InChIKeyNNRWJIQSBLWFAR-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-3,3-difluoro-1-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313460
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
2-(3-methylbutan-2-yloxy)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 107523851
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
2-tert-butylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65132708
1-(3,5-difluorophenyl)-3,4,4-trimethylpentan-1-amine
CID 115851616
1-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 61032956
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
3-methoxy-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62790379

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The IUPAC name of 3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine (CID 115852178) is 3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine.
What is the SMILES notation for 3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The canonical SMILES for 3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine is CC(CC(N)c1ccc(C(F)(F)F)cc1)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
The InChIKey is NNRWJIQSBLWFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-10(14(2,3)4)9-13(19)11-5-7-12(8-6-11)15(16,17)18/h5-8,10,13H,9,19H2,1-4H3.
What are the key properties of 3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine?
3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine is sourced from PubChem (CID 115852178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).