1-(4-fluorophenyl)-N,N-dimethylethenamine

C10H12FN — CID 54285953

IUPAC1-(4-fluorophenyl)-N,N-dimethylethenamine
SMILESC=C(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C10H12FN/c1-8(12(2)3)9-4-6-10(11)7-5-9/h4-7H,1H2,2-3H3
InChIKeyRUCYPQDWYGKPLK-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.36
Rot. Bonds2

About 1-(4-fluorophenyl)-N,N-dimethylethenamine

1-(4-fluorophenyl)-N,N-dimethylethenamine (PubChem CID 54285953) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N-dimethylethenamine
PubChem CID54285953
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name1-(4-fluorophenyl)-N,N-dimethylethenamine
SMILESC=C(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C10H12FN/c1-8(12(2)3)9-4-6-10(11)7-5-9/h4-7H,1H2,2-3H3
InChIKeyRUCYPQDWYGKPLK-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N-dimethylethenamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N-dimethylethenamine (CID 54285953) is 1-(4-fluorophenyl)-N,N-dimethylethenamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N-dimethylethenamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N-dimethylethenamine is C=C(c1ccc(F)cc1)N(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-N,N-dimethylethenamine?
The InChIKey is RUCYPQDWYGKPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-8(12(2)3)9-4-6-10(11)7-5-9/h4-7H,1H2,2-3H3.
What are the key properties of 1-(4-fluorophenyl)-N,N-dimethylethenamine?
1-(4-fluorophenyl)-N,N-dimethylethenamine has a molecular weight of 165.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N-dimethylethenamine is sourced from PubChem (CID 54285953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).