1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine

C12H16FN — CID 79189960

IUPAC1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(F)c(C)c1
InChIInChI=1S/C12H16FN/c1-8(2)12(14-4)10-5-6-11(13)9(3)7-10/h5-7,12,14H,1H2,2-4H3
InChIKeyOQDMOQCXRRJXGT-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.97
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine

1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 79189960) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
PubChem CID79189960
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1ccc(F)c(C)c1
InChIInChI=1S/C12H16FN/c1-8(2)12(14-4)10-5-6-11(13)9(3)7-10/h5-7,12,14H,1H2,2-4H3
InChIKeyOQDMOQCXRRJXGT-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005216
1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107994087
1-(4-fluoro-3-methylphenyl)-N'-methylmethanediamine
CID 116939268
1-(3,5-dimethylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005125
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
1-(4-fluoro-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62394130
N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine
CID 105005495
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine
CID 79746964
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine (CID 79189960) is 1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is OQDMOQCXRRJXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8(2)12(14-4)10-5-6-11(13)9(3)7-10/h5-7,12,14H,1H2,2-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine?
1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 79189960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).