1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol

C16H18FNO2 — CID 107230540

IUPAC1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
SMILESOCc1cccc(CNCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO2/c17-15-6-4-14(5-7-15)16(20)10-18-9-12-2-1-3-13(8-12)11-19/h1-8,16,18-20H,9-11H2
InChIKeyWNYCKXKKMTVVIP-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.14
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol

1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol (PubChem CID 107230540) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
PubChem CID107230540
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol
SMILESOCc1cccc(CNCC(O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H18FNO2/c17-15-6-4-14(5-7-15)16(20)10-18-9-12-2-1-3-13(8-12)11-19/h1-8,16,18-20H,9-11H2
InChIKeyWNYCKXKKMTVVIP-UHFFFAOYSA-N
XLogP2.14
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide
CID 110928608
(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 124700879
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 62538937
3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
CID 107230520
2-[(3-fluorophenyl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111422221
4-[3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]phenoxy]butanenitrile
CID 119108897
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 103792992
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 60918684

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol (CID 107230540) is 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol is OCc1cccc(CNCC(O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol?
The InChIKey is WNYCKXKKMTVVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c17-15-6-4-14(5-7-15)16(20)10-18-9-12-2-1-3-13(8-12)11-19/h1-8,16,18-20H,9-11H2.
What are the key properties of 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol?
1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol has a molecular weight of 275.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[[3-(hydroxymethyl)phenyl]methylamino]ethanol is sourced from PubChem (CID 107230540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).