3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine

C12H16FN — CID 169473418

IUPAC3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc(C)c(F)c(C)c1
InChIInChI=1S/C12H16FN/c1-9-7-11(5-4-6-14-3)8-10(2)12(9)13/h4-5,7-8,14H,6H2,1-3H3
InChIKeyVFWJPUUDHMPTGL-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.68
Rot. Bonds3

About 3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine

3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine (PubChem CID 169473418) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
PubChem CID169473418
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1cc(C)c(F)c(C)c1
InChIInChI=1S/C12H16FN/c1-9-7-11(5-4-6-14-3)8-10(2)12(9)13/h4-5,7-8,14H,6H2,1-3H3
InChIKeyVFWJPUUDHMPTGL-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene
CID 169477157
3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473411
3-(4-fluoro-2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473419
3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473500
3-(3-bromo-5-methylphenyl)-N-methylprop-2-en-1-amine
CID 169474790
3-methyl-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473325
3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473286
3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol
CID 169473191
(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285338
3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474620
(E)-3-(3-bromo-4-fluoro-5-methylphenyl)prop-2-en-1-amine
CID 117361697
3-(4-fluoro-3,5-dimethylphenyl)prop-2-enenitrile
CID 169483304

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine (CID 169473418) is 3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine is CNCC=Cc1cc(C)c(F)c(C)c1.
What is the InChIKey of 3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is VFWJPUUDHMPTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-7-11(5-4-6-14-3)8-10(2)12(9)13/h4-5,7-8,14H,6H2,1-3H3.
What are the key properties of 3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine?
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169473418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).