1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine

C11H12FNO — CID 104995350

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
SMILESC#CC(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H12FNO/c1-4-10(13-2)8-5-6-11(14-3)9(12)7-8/h1,5-7,10,13H,2-3H3
InChIKeyCJKKWBZJMGEPKD-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.73
Rot. Bonds3

About 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine

1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine (PubChem CID 104995350) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
PubChem CID104995350
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
SMILESC#CC(NC)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H12FNO/c1-4-10(13-2)8-5-6-11(14-3)9(12)7-8/h1,5-7,10,13H,2-3H3
InChIKeyCJKKWBZJMGEPKD-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)-N-methylbut-3-yn-1-amine
CID 114976941
1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 104995849
2-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)acetonitrile
CID 65096153
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 66436991
1-(4-fluoro-3-methoxyphenyl)prop-2-ynylhydrazine
CID 105315530
1-(3-fluoro-4-methoxyphenyl)-N-methylhex-5-yn-1-amine
CID 105033634
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43487704

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine (CID 104995350) is 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine is C#CC(NC)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine?
The InChIKey is CJKKWBZJMGEPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-4-10(13-2)8-5-6-11(14-3)9(12)7-8/h1,5-7,10,13H,2-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine?
1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine has a molecular weight of 193.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 104995350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).