3-(4-fluorophenyl)-N-methylprop-1-en-2-amine

C10H12FN — CID 89191706

IUPAC3-(4-fluorophenyl)-N-methylprop-1-en-2-amine
SMILESC=C(Cc1ccc(F)cc1)NC
InChIInChI=1S/C10H12FN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,12H,1,7H2,2H3
InChIKeyZLYLPYPQARWXLD-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.10
Rot. Bonds3

About 3-(4-fluorophenyl)-N-methylprop-1-en-2-amine

3-(4-fluorophenyl)-N-methylprop-1-en-2-amine (PubChem CID 89191706) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methylprop-1-en-2-amine
PubChem CID89191706
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3-(4-fluorophenyl)-N-methylprop-1-en-2-amine
SMILESC=C(Cc1ccc(F)cc1)NC
InChIInChI=1S/C10H12FN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,12H,1,7H2,2H3
InChIKeyZLYLPYPQARWXLD-UHFFFAOYSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methylprop-1-en-2-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-methylprop-1-en-2-amine (CID 89191706) is 3-(4-fluorophenyl)-N-methylprop-1-en-2-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methylprop-1-en-2-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-methylprop-1-en-2-amine is C=C(Cc1ccc(F)cc1)NC.
What is the InChIKey of 3-(4-fluorophenyl)-N-methylprop-1-en-2-amine?
The InChIKey is ZLYLPYPQARWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,12H,1,7H2,2H3.
What are the key properties of 3-(4-fluorophenyl)-N-methylprop-1-en-2-amine?
3-(4-fluorophenyl)-N-methylprop-1-en-2-amine has a molecular weight of 165.21 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methylprop-1-en-2-amine is sourced from PubChem (CID 89191706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).