1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine

C15H22F3N — CID 66204159

IUPAC1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CC(C)C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-10-19-14(11-12(2)3,15(16,17)18)13-8-6-5-7-9-13/h5-9,12,19H,4,10-11H2,1-3H3
InChIKeyJYJQAIRCZZUIQP-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.49
Rot. Bonds6

About 1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine

1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine (PubChem CID 66204159) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine
PubChem CID66204159
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine
SMILESCCCNC(CC(C)C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-10-19-14(11-12(2)3,15(16,17)18)13-8-6-5-7-9-13/h5-9,12,19H,4,10-11H2,1-3H3
InChIKeyJYJQAIRCZZUIQP-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine
CID 66204953
(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene
CID 155030770
1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine
CID 66206204
N-[dimethoxy(phenyl)methyl]propan-1-amine
CID 57151893
3,3-difluoro-3-phenyl-N-propylpropan-1-amine
CID 116790434
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
CID 63417732
(2,5-dimethyl-3-propan-2-ylhexan-3-yl)benzene
CID 22369928
1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine
CID 103466015
4-(2-methylpropylsulfanyl)-2-phenyl-2-(propylamino)butan-1-ol
CID 116696144
tert-butylbenzene;3-ethyl-2-methylpentane
CID 177346689
2,3,5-trimethylhexan-3-ylbenzene
CID 123149580

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine (CID 66204159) is 1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine is CCCNC(CC(C)C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine?
The InChIKey is JYJQAIRCZZUIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-10-19-14(11-12(2)3,15(16,17)18)13-8-6-5-7-9-13/h5-9,12,19H,4,10-11H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine?
1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine is sourced from PubChem (CID 66204159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).