2-[(2-fluorophenyl)methylamino]butan-1-ol

C11H16FNO — CID 3156002

IUPAC2-[(2-fluorophenyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccccc1F
InChIInChI=1S/C11H16FNO/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3
InChIKeyWDLIUSVZZOVBQW-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.69
Rot. Bonds5

About 2-[(2-fluorophenyl)methylamino]butan-1-ol

2-[(2-fluorophenyl)methylamino]butan-1-ol (PubChem CID 3156002) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]butan-1-ol
PubChem CID3156002
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-[(2-fluorophenyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccccc1F
InChIInChI=1S/C11H16FNO/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3
InChIKeyWDLIUSVZZOVBQW-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-fluorophenyl)methylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]butan-1-ol (CID 3156002) is 2-[(2-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]butan-1-ol is CCC(CO)NCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is WDLIUSVZZOVBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-10(8-14)13-7-9-5-3-4-6-11(9)12/h3-6,10,13-14H,2,7-8H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylamino]butan-1-ol?
2-[(2-fluorophenyl)methylamino]butan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 3156002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).