N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine

C12H16F3N — CID 102754125

IUPACN-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(C(F)(F)F)ccc1CNC(C)C
InChIInChI=1S/C12H16F3N/c1-8(2)16-7-10-4-5-11(6-9(10)3)12(13,14)15/h4-6,8,16H,7H2,1-3H3
InChIKeyZSBWARNOLQJLPS-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.51
Rot. Bonds3

About N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine

N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 102754125) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID102754125
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(C(F)(F)F)ccc1CNC(C)C
InChIInChI=1S/C12H16F3N/c1-8(2)16-7-10-4-5-11(6-9(10)3)12(13,14)15/h4-6,8,16H,7H2,1-3H3
InChIKeyZSBWARNOLQJLPS-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene
CID 135135802
(2S)-3-methoxy-2-methyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 99829185
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266
(2R)-2-methylsulfonyl-N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propanamide
CID 99829225
N-tert-butyl-2-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102756073
2-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]-2-(oxan-4-yl)acetic acid
CID 167932367
1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline
CID 62134843
5-tert-butyl-2-[(propan-2-ylamino)methyl]phenol
CID 10331105
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-2-amine
CID 66475670
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine
CID 172506919

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine (CID 102754125) is N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine is Cc1cc(C(F)(F)F)ccc1CNC(C)C.
What is the InChIKey of N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is ZSBWARNOLQJLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-8(2)16-7-10-4-5-11(6-9(10)3)12(13,14)15/h4-6,8,16H,7H2,1-3H3.
What are the key properties of N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine?
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 102754125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).