1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol

C15H16FNO — CID 54962584

IUPAC1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol
SMILESCC(O)c1ccccc1NCc1cccc(F)c1
InChIInChI=1S/C15H16FNO/c1-11(18)14-7-2-3-8-15(14)17-10-12-5-4-6-13(16)9-12/h2-9,11,17-18H,10H2,1H3
InChIKeyYNGMEVQEPUSWSR-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.49
Rot. Bonds4

About 1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol

1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol (PubChem CID 54962584) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol
PubChem CID54962584
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol
SMILESCC(O)c1ccccc1NCc1cccc(F)c1
InChIInChI=1S/C15H16FNO/c1-11(18)14-7-2-3-8-15(14)17-10-12-5-4-6-13(16)9-12/h2-9,11,17-18H,10H2,1H3
InChIKeyYNGMEVQEPUSWSR-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107936215
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2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
CID 43750090
N-[(4-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 28542068
N-[(3-chloro-5-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 114452114
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenyl]ethanol
CID 62096876
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
1-[2-(benzylamino)-4-bromophenyl]ethanol
CID 68778308
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
(3R)-3-(3-fluorophenyl)-N-[2-[(1R)-1-hydroxyethyl]phenyl]butanamide
CID 97339857

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol?
The IUPAC name of 1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol (CID 54962584) is 1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol?
The canonical SMILES for 1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol is CC(O)c1ccccc1NCc1cccc(F)c1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol?
The InChIKey is YNGMEVQEPUSWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11(18)14-7-2-3-8-15(14)17-10-12-5-4-6-13(16)9-12/h2-9,11,17-18H,10H2,1H3.
What are the key properties of 1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol?
1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol has a molecular weight of 245.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)methylamino]phenyl]ethanol is sourced from PubChem (CID 54962584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).