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

C16H18FNO2 — CID 60896885

IUPAC1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccccc1CNCC(O)c1cccc(F)c1
InChIInChI=1S/C16H18FNO2/c1-20-16-8-3-2-5-13(16)10-18-11-15(19)12-6-4-7-14(17)9-12/h2-9,15,18-19H,10-11H2,1H3
InChIKeyKPFNFPIBGCTFEW-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.66
Rot. Bonds6

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

1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol (PubChem CID 60896885) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
PubChem CID60896885
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
SMILESCOc1ccccc1CNCC(O)c1cccc(F)c1
InChIInChI=1S/C16H18FNO2/c1-20-16-8-3-2-5-13(16)10-18-11-15(19)12-6-4-7-14(17)9-12/h2-9,15,18-19H,10-11H2,1H3
InChIKeyKPFNFPIBGCTFEW-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 23647926
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 82315000
(1S)-1-(3-fluorophenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 94816511
(1R)-2-[(2-methoxyphenyl)methylamino]-1-(3-phenylmethoxyphenyl)ethanol
CID 46893592
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 46893460
(1S)-2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 29187906
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 75875456
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
1-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylamino]ethanol
CID 10851837

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol (CID 60896885) is 1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol is COc1ccccc1CNCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
The InChIKey is KPFNFPIBGCTFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-20-16-8-3-2-5-13(16)10-18-11-15(19)12-6-4-7-14(17)9-12/h2-9,15,18-19H,10-11H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol?
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol has a molecular weight of 275.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 60896885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).