[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine

C12H16F3N — CID 68512051

IUPAC[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)Cc1cc(C(F)(F)F)ccc1CN
InChIInChI=1S/C12H16F3N/c1-8(2)5-10-6-11(12(13,14)15)4-3-9(10)7-16/h3-4,6,8H,5,7,16H2,1-2H3
InChIKeyCFDHNLHLAVGXIQ-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.36
Rot. Bonds3

About [2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine

[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 68512051) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is [2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
PubChem CID68512051
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)Cc1cc(C(F)(F)F)ccc1CN
InChIInChI=1S/C12H16F3N/c1-8(2)5-10-6-11(12(13,14)15)4-3-9(10)7-16/h3-4,6,8H,5,7,16H2,1-2H3
InChIKeyCFDHNLHLAVGXIQ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
CID 162349795
2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline
CID 62103801
(2S)-1-[2-methyl-5-(trifluoromethyl)phenyl]propan-2-amine
CID 70970416
N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine
CID 171931128
3-[2-(aminomethyl)-5-tert-butylphenyl]-2-methylpropanal
CID 174771794
2-(aminomethyl)-N-(2-methylpropylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114813987
[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 155419142
2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
CID 43570550
2-N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187678
[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 103505205
[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43153637
1-(2-methylpropyl)-2,4-bis(1,1,2,2,2-pentafluoroethyl)benzene
CID 173293488

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine (CID 68512051) is [2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine is CC(C)Cc1cc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is CFDHNLHLAVGXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-8(2)5-10-6-11(12(13,14)15)4-3-9(10)7-16/h3-4,6,8H,5,7,16H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine?
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 231.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 68512051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).