4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen

C10H14FN — CID 145121367

IUPAC4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen
SMILESC=C(C)Nc1ccc(F)c(C)c1.[H][H]
InChIInChI=1S/C10H12FN.H2/c1-7(2)12-9-4-5-10(11)8(3)6-9;/h4-6,12H,1H2,2-3H3;1H
InChIKeyOKCZWDRSQXSTEV-UHFFFAOYSA-N
MW167.23 g/mol
LogP3.33
Rot. Bonds2

About 4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen

4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen (PubChem CID 145121367) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen
PubChem CID145121367
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen
SMILESC=C(C)Nc1ccc(F)c(C)c1.[H][H]
InChIInChI=1S/C10H12FN.H2/c1-7(2)12-9-4-5-10(11)8(3)6-9;/h4-6,12H,1H2,2-3H3;1H
InChIKeyOKCZWDRSQXSTEV-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-3-methyl-N-prop-1-en-2-ylaniline
CID 142248112
1,3-bis(4-fluoro-3-methylphenyl)thiourea
CID 53365062
4-fluoro-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]aniline
CID 143736258
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
N-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 115165884
1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)thiourea
CID 53488583
N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115140347
1-(4-fluoro-3-methylphenyl)-3-(4-iodophenyl)thiourea
CID 53365050
N-(4-fluoro-3-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 62813947
(2S)-2-amino-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813030
1-ethyl-3-(4-fluoro-3-methylphenyl)thiourea
CID 115610649
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen?
The IUPAC name of 4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen (CID 145121367) is 4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen.
What is the SMILES notation for 4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen?
The canonical SMILES for 4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen is C=C(C)Nc1ccc(F)c(C)c1.[H][H].
What is the InChIKey of 4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen?
The InChIKey is OKCZWDRSQXSTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN.H2/c1-7(2)12-9-4-5-10(11)8(3)6-9;/h4-6,12H,1H2,2-3H3;1H.
What are the key properties of 4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen?
4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen has a molecular weight of 167.23 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-prop-1-en-2-ylaniline;molecular hydrogen is sourced from PubChem (CID 145121367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).