(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol

C11H16FNO — CID 28723169

IUPAC(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-2-11(8-14)13-7-9-4-3-5-10(12)6-9/h3-6,11,13-14H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyLLOYHEOFYMLHJT-LLVKDONJSA-N
MW197.25 g/mol
LogP1.69
Rot. Bonds5

About (2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol

(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol (PubChem CID 28723169) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
PubChem CID28723169
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-2-11(8-14)13-7-9-4-3-5-10(12)6-9/h3-6,11,13-14H,2,7-8H2,1H3/t11-/m1/s1
InChIKeyLLOYHEOFYMLHJT-LLVKDONJSA-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 (2R)-2-[(3-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

Related Compounds

N-[(3-fluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115900017
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
1-[(3-fluorophenyl)methylamino]propan-1-ol
CID 90777297
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
2-[(3-bromo-5-fluorophenyl)methylamino]butan-1-ol
CID 79710759
2-[(3-ethylphenyl)methylamino]propane-1,3-diol
CID 71028738
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
CID 75355893
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol (CID 28723169) is (2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol is CC[C@H](CO)NCc1cccc(F)c1.
What is the InChIKey of (2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is LLOYHEOFYMLHJT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16FNO/c1-2-11(8-14)13-7-9-4-3-5-10(12)6-9/h3-6,11,13-14H,2,7-8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol?
(2R)-2-[(3-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 (2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 28723169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).