4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine

C12H14F3N — CID 170487396

IUPAC4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine
SMILESCc1cc(C=CCCN)ccc1C(F)(F)F
InChIInChI=1S/C12H14F3N/c1-9-8-10(4-2-3-7-16)5-6-11(9)12(13,14)15/h2,4-6,8H,3,7,16H2,1H3
InChIKeyIFPQCPLGNUPEHC-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.38
Rot. Bonds3

About 4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine

4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine (PubChem CID 170487396) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine.

Molecular Properties

Compound Name4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine
PubChem CID170487396
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine
SMILESCc1cc(C=CCCN)ccc1C(F)(F)F
InChIInChI=1S/C12H14F3N/c1-9-8-10(4-2-3-7-16)5-6-11(9)12(13,14)15/h2,4-6,8H,3,7,16H2,1H3
InChIKeyIFPQCPLGNUPEHC-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-fluoro-4-methylphenyl)but-3-en-1-amine
CID 76997063
N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489158
4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477031
5-(4-aminobut-1-enyl)-2-methylphenol
CID 170486582
4-(4-aminobut-1-enyl)-2,6-dimethylaniline
CID 170486974
benzyl N-[4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170494526
3-[3-chloro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463998
5-(4-aminobut-1-enyl)-2-(trifluoromethoxy)aniline
CID 170487799
(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine
CID 107290638
4-(4-bromo-3-fluorophenyl)but-3-en-1-amine
CID 170487945
2-chloro-4-(4-chlorobut-1-enyl)-1-(trifluoromethyl)benzene
CID 170499629
4-(4-bromobut-1-enyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 170497926

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine?
The IUPAC name of 4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine (CID 170487396) is 4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine.
What is the SMILES notation for 4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine?
The canonical SMILES for 4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine is Cc1cc(C=CCCN)ccc1C(F)(F)F.
What is the InChIKey of 4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine?
The InChIKey is IFPQCPLGNUPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-9-8-10(4-2-3-7-16)5-6-11(9)12(13,14)15/h2,4-6,8H,3,7,16H2,1H3.
What are the key properties of 4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine?
4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine has a molecular weight of 229.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-4-(trifluoromethyl)phenyl]but-3-en-1-amine is sourced from PubChem (CID 170487396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).