[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine

C12H16F3N — CID 155419142

IUPAC[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)Cc1cc(CN)ccc1C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-8(2)5-10-6-9(7-16)3-4-11(10)12(13,14)15/h3-4,6,8H,5,7,16H2,1-2H3
InChIKeyJHRGRWQOETVIFK-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.36
Rot. Bonds3

About [3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine

[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 155419142) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is [3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
PubChem CID155419142
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)Cc1cc(CN)ccc1C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-8(2)5-10-6-9(7-16)3-4-11(10)12(13,14)15/h3-4,6,8H,5,7,16H2,1-2H3
InChIKeyJHRGRWQOETVIFK-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

4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
CID 118359594
4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
[1-[5-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]carbamic acid
CID 174625985
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 68512051
3-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]sulfanylbutan-2-ol
CID 107772234
[4-iodo-3-(trifluoromethyl)phenyl]methanamine
CID 53414331
[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708695
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
3-chloro-4-[4-(2-methylpropyl)-2-(trifluoromethyl)phenyl]aniline
CID 150686080
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 112662366
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine
CID 55001670
[3-[[4-(2-methylpropyl)phenyl]methyl]phenyl]methanamine
CID 116926181

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine (CID 155419142) is [3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine is CC(C)Cc1cc(CN)ccc1C(F)(F)F.
What is the InChIKey of [3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JHRGRWQOETVIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-8(2)5-10-6-9(7-16)3-4-11(10)12(13,14)15/h3-4,6,8H,5,7,16H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine?
[3-(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 [3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 155419142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).