2-(3-fluorophenyl)-N,N-dimethylethanamine

C10H14FN — CID 22072874

IUPAC2-(3-fluorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cccc(F)c1
InChIInChI=1S/C10H14FN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyZXRFTQNOESGYCM-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-fluorophenyl)-N,N-dimethylethanamine

2-(3-fluorophenyl)-N,N-dimethylethanamine (PubChem CID 22072874) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N,N-dimethylethanamine
PubChem CID22072874
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name2-(3-fluorophenyl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cccc(F)c1
InChIInChI=1S/C10H14FN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyZXRFTQNOESGYCM-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N,N-dimethylethanamine (CID 22072874) is 2-(3-fluorophenyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N,N-dimethylethanamine is CN(C)CCc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N,N-dimethylethanamine?
The InChIKey is ZXRFTQNOESGYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-N,N-dimethylethanamine?
2-(3-fluorophenyl)-N,N-dimethylethanamine has a molecular weight of 167.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N,N-dimethylethanamine is sourced from PubChem (CID 22072874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).