3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine

C12H14FN — CID 106882145

IUPAC3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine
SMILESCNCC#Cc1c(C)cc(C)cc1F
InChIInChI=1S/C12H14FN/c1-9-7-10(2)11(12(13)8-9)5-4-6-14-3/h7-8,14H,6H2,1-3H3
InChIKeyBLIZJQUAPNVGFZ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.01
Rot. Bonds1

About 3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine

3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine (PubChem CID 106882145) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine
PubChem CID106882145
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine
SMILESCNCC#Cc1c(C)cc(C)cc1F
InChIInChI=1S/C12H14FN/c1-9-7-10(2)11(12(13)8-9)5-4-6-14-3/h7-8,14H,6H2,1-3H3
InChIKeyBLIZJQUAPNVGFZ-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-fluoro-4,6-dimethylphenyl)-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

4-(2-fluoro-4,6-dimethylphenyl)but-3-yn-1-ol
CID 106882135
2-ethynyl-1-fluoro-3,5-dimethylbenzene
CID 106882406
3-(2,4,6-trimethylphenyl)prop-2-yn-1-amine
CID 60800986
2-[2-[3,5-difluoro-4-[2-(3,4,5-trimethylphenyl)ethynyl]phenyl]ethynyl]-1,3-difluoro-5-methylbenzene
CID 21359869
3-(3,4-dimethylphenyl)-N-methylprop-2-yn-1-amine
CID 114497818
3,5-difluoro-4-[4-(methylamino)but-1-ynyl]phenol
CID 170464242
2-[2-(2,6-difluoro-4-methylphenyl)ethynyl]-1,3-dimethyl-5-(2-methylcyclopropyl)benzene
CID 21359850
3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylprop-2-yn-1-amine
CID 107289500
2-[2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]ethynyl]-1,3,5-trimethylbenzene;1,3,5-trimethyl-2-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 91012737
(2-fluoro-4,6-dimethylphenyl)methylhydrazine
CID 106884295
1-fluoro-2-(iodomethyl)-3,5-dimethylbenzene
CID 170736464
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine?
The IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine (CID 106882145) is 3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine.
What is the SMILES notation for 3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine?
The canonical SMILES for 3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine is CNCC#Cc1c(C)cc(C)cc1F.
What is the InChIKey of 3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine?
The InChIKey is BLIZJQUAPNVGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-9-7-10(2)11(12(13)8-9)5-4-6-14-3/h7-8,14H,6H2,1-3H3.
What are the key properties of 3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine?
3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine has a molecular weight of 191.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4,6-dimethylphenyl)-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 106882145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).