2-[(3-fluorophenyl)methylamino]ethanol

C9H12FNO — CID 10866749

IUPAC2-[(3-fluorophenyl)methylamino]ethanol
SMILESOCCNCc1cccc(F)c1
InChIInChI=1S/C9H12FNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2
InChIKeyNNDQECFRHRMOST-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.91
Rot. Bonds4

About 2-[(3-fluorophenyl)methylamino]ethanol

2-[(3-fluorophenyl)methylamino]ethanol (PubChem CID 10866749) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]ethanol
PubChem CID10866749
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-[(3-fluorophenyl)methylamino]ethanol
SMILESOCCNCc1cccc(F)c1
InChIInChI=1S/C9H12FNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2
InChIKeyNNDQECFRHRMOST-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.91
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

3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
N-[(3-fluorophenyl)methyl]but-3-yn-1-amine
CID 63656043
2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
CID 2960455
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733
3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
CID 77029790
methyl 3-[(3-fluorophenyl)methylamino]propanoate
CID 43088302
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906
2-[(3-fluorophenyl)methylamino]acetaldehyde
CID 115222993
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]ethanol?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]ethanol (CID 10866749) is 2-[(3-fluorophenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]ethanol?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]ethanol is OCCNCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]ethanol?
The InChIKey is NNDQECFRHRMOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c10-9-3-1-2-8(6-9)7-11-4-5-12/h1-3,6,11-12H,4-5,7H2.
What are the key properties of 2-[(3-fluorophenyl)methylamino]ethanol?
2-[(3-fluorophenyl)methylamino]ethanol has a molecular weight of 169.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]ethanol is sourced from PubChem (CID 10866749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).