5-fluoro-2-methyl-N-prop-2-ynylaniline

C10H10FN — CID 60679305

IUPAC5-fluoro-2-methyl-N-prop-2-ynylaniline
SMILESC#CCNc1cc(F)ccc1C
InChIInChI=1S/C10H10FN/c1-3-6-12-10-7-9(11)5-4-8(10)2/h1,4-5,7,12H,6H2,2H3
InChIKeySDNMDGMGZKMECB-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.18
Rot. Bonds2

About 5-fluoro-2-methyl-N-prop-2-ynylaniline

5-fluoro-2-methyl-N-prop-2-ynylaniline (PubChem CID 60679305) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-prop-2-ynylaniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-prop-2-ynylaniline
PubChem CID60679305
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name5-fluoro-2-methyl-N-prop-2-ynylaniline
SMILESC#CCNc1cc(F)ccc1C
InChIInChI=1S/C10H10FN/c1-3-6-12-10-7-9(11)5-4-8(10)2/h1,4-5,7,12H,6H2,2H3
InChIKeySDNMDGMGZKMECB-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-methyl-N-prop-2-ynylaniline 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-fluoro-2,5-dimethyl-N-prop-2-ynylaniline
CID 130735585
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966
4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol
CID 79359581
5-fluoro-2-(prop-2-ynylamino)benzoic acid
CID 63674509
N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline
CID 60679321
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
4-[(5-fluoro-2-methylanilino)methyl]piperidin-4-ol
CID 126846923
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
4-[(5-fluoro-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952997

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-prop-2-ynylaniline?
The IUPAC name of 5-fluoro-2-methyl-N-prop-2-ynylaniline (CID 60679305) is 5-fluoro-2-methyl-N-prop-2-ynylaniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-prop-2-ynylaniline?
The canonical SMILES for 5-fluoro-2-methyl-N-prop-2-ynylaniline is C#CCNc1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-2-methyl-N-prop-2-ynylaniline?
The InChIKey is SDNMDGMGZKMECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-3-6-12-10-7-9(11)5-4-8(10)2/h1,4-5,7,12H,6H2,2H3.
What are the key properties of 5-fluoro-2-methyl-N-prop-2-ynylaniline?
5-fluoro-2-methyl-N-prop-2-ynylaniline has a molecular weight of 163.19 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-prop-2-ynylaniline is sourced from PubChem (CID 60679305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).