2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine

C12H16F3N — CID 62740976

IUPAC2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(C)(CN)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3N/c1-11(2,8-16)7-9-3-5-10(6-4-9)12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKeyQVKKYMFKHJOGPP-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.23
Rot. Bonds3

About 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine

2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 62740976) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID62740976
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(C)(CN)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3N/c1-11(2,8-16)7-9-3-5-10(6-4-9)12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKeyQVKKYMFKHJOGPP-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine
CID 116991904
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83160551
2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62724100
1-(2,2-dimethylhexyl)-4-(trifluoromethyl)benzene
CID 146324258
3-(4-bromophenyl)-2,2-dimethylpropan-1-amine
CID 56687188
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
1-[3-chloro-2-(chloromethyl)-2-methylpropyl]-4-(trifluoromethyl)benzene
CID 79447195
4-(3-amino-2,2-dimethylpropyl)-N,N-dimethylaniline
CID 82111054
2,2-dimethyl-3-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 95443580

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 62740976) is 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine is CC(C)(CN)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is QVKKYMFKHJOGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-11(2,8-16)7-9-3-5-10(6-4-9)12(13,14)15/h3-6H,7-8,16H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine?
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 231.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 62740976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).