N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine

C12H14F3N — CID 169474051

IUPACN-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCNCC=Cc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C12H14F3N/c1-9-10(6-4-8-16-2)5-3-7-11(9)12(13,14)15/h3-7,16H,8H2,1-2H3
InChIKeyBNSZPFBKHPHBDC-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.25
Rot. Bonds3

About N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine

N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 169474051) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID169474051
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC NameN-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCNCC=Cc1cccc(C(F)(F)F)c1C
InChIInChI=1S/C12H14F3N/c1-9-10(6-4-8-16-2)5-3-7-11(9)12(13,14)15/h3-7,16H,8H2,1-2H3
InChIKeyBNSZPFBKHPHBDC-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-4-[2-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170496226
2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene
CID 176961443
3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
CID 169473159
2-methyl-3-[3-(methylamino)prop-1-enyl]benzonitrile
CID 169473633
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063
N-propyl-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 79347467
2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473296
N-[3-[2-chloro-3-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466678
1-(fluoromethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 129042451
1-[difluoro(iodo)methyl]-2-methyl-3-(trifluoromethyl)benzene
CID 129042574
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
4-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487411

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 169474051) is N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine is CNCC=Cc1cccc(C(F)(F)F)c1C.
What is the InChIKey of N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is BNSZPFBKHPHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-9-10(6-4-8-16-2)5-3-7-11(9)12(13,14)15/h3-7,16H,8H2,1-2H3.
What are the key properties of N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 229.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 169474051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).