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

C10H14FNO — CID 28714303

IUPAC3-[(3-fluorophenyl)methylamino]propan-1-ol
SMILESOCCCNCc1cccc(F)c1
InChIInChI=1S/C10H14FNO/c11-10-4-1-3-9(7-10)8-12-5-2-6-13/h1,3-4,7,12-13H,2,5-6,8H2
InChIKeyHRTPLJZVCIEOFR-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.30
Rot. Bonds5

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

3-[(3-fluorophenyl)methylamino]propan-1-ol (PubChem CID 28714303) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylamino]propan-1-ol
PubChem CID28714303
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-[(3-fluorophenyl)methylamino]propan-1-ol
SMILESOCCCNCc1cccc(F)c1
InChIInChI=1S/C10H14FNO/c11-10-4-1-3-9(7-10)8-12-5-2-6-13/h1,3-4,7,12-13H,2,5-6,8H2
InChIKeyHRTPLJZVCIEOFR-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
1-N-[(3-fluorophenyl)methyl]pentane-1,4-diamine
CID 115203879
N-[(3-fluorophenyl)methyl]hept-6-en-1-amine
CID 107006535
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
CID 115584501
N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741
N-[(3-fluorophenyl)methyl]but-3-yn-1-amine
CID 63656043
N-[(3-fluorophenyl)methyl]-3-(1,1,2,2,2-pentafluoroethylsulfanyl)propan-1-amine
CID 75530128
N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60733037
3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
CID 77029790
5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 62227696

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylamino]propan-1-ol?
The IUPAC name of 3-[(3-fluorophenyl)methylamino]propan-1-ol (CID 28714303) is 3-[(3-fluorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(3-fluorophenyl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(3-fluorophenyl)methylamino]propan-1-ol is OCCCNCc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylamino]propan-1-ol?
The InChIKey is HRTPLJZVCIEOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-10-4-1-3-9(7-10)8-12-5-2-6-13/h1,3-4,7,12-13H,2,5-6,8H2.
What are the key properties of 3-[(3-fluorophenyl)methylamino]propan-1-ol?
3-[(3-fluorophenyl)methylamino]propan-1-ol has a molecular weight of 183.23 g/mol, XLogP of 1.30, 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]propan-1-ol is sourced from PubChem (CID 28714303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).