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

C11H16FNO — CID 78997881

IUPAC3-[(3-fluorophenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-9(5-6-14)13-8-10-3-2-4-11(12)7-10/h2-4,7,9,13-14H,5-6,8H2,1H3
InChIKeyMETQDVIUAXVTMY-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.69
Rot. Bonds5

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

3-[(3-fluorophenyl)methylamino]butan-1-ol (PubChem CID 78997881) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylamino]butan-1-ol
PubChem CID78997881
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-[(3-fluorophenyl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1cccc(F)c1
InChIInChI=1S/C11H16FNO/c1-9(5-6-14)13-8-10-3-2-4-11(12)7-10/h2-4,7,9,13-14H,5-6,8H2,1H3
InChIKeyMETQDVIUAXVTMY-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

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Related Compounds

3-[(3,5-difluorophenyl)methylamino]butan-1-ol
CID 109482032
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
CID 103854762
N-[(3-fluorophenyl)methyl]hex-5-en-2-amine
CID 75525500
3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949846
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115626138
N-[(3-fluorophenyl)methyl]pent-4-en-2-amine
CID 115633143

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylamino]butan-1-ol?
The IUPAC name of 3-[(3-fluorophenyl)methylamino]butan-1-ol (CID 78997881) is 3-[(3-fluorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(3-fluorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(3-fluorophenyl)methylamino]butan-1-ol is CC(CCO)NCc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylamino]butan-1-ol?
The InChIKey is METQDVIUAXVTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-9(5-6-14)13-8-10-3-2-4-11(12)7-10/h2-4,7,9,13-14H,5-6,8H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methylamino]butan-1-ol?
3-[(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 3-[(3-fluorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 78997881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).