2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine

C11H14FN — CID 174492825

IUPAC2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine
SMILESCC(=CN(C)C)c1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-9(8-13(2)3)10-4-6-11(12)7-5-10/h4-8H,1-3H3
InChIKeyOFPXKLMTZGJRCX-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.75
Rot. Bonds2

About 2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine

2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine (PubChem CID 174492825) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine
PubChem CID174492825
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine
SMILESCC(=CN(C)C)c1ccc(F)cc1
InChIInChI=1S/C11H14FN/c1-9(8-13(2)3)10-4-6-11(12)7-5-10/h4-8H,1-3H3
InChIKeyOFPXKLMTZGJRCX-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine (CID 174492825) is 2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine is CC(=CN(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine?
The InChIKey is OFPXKLMTZGJRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-9(8-13(2)3)10-4-6-11(12)7-5-10/h4-8H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine?
2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 174492825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).