4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol

C15H16FNO2 — CID 60664100

IUPAC4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
SMILESCC(NCc1ccc(O)c(O)c1)c1ccccc1F
InChIInChI=1S/C15H16FNO2/c1-10(12-4-2-3-5-13(12)16)17-9-11-6-7-14(18)15(19)8-11/h2-8,10,17-19H,9H2,1H3
InChIKeyKGCZMCFFHPEVLH-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.09
Rot. Bonds4

About 4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol

4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol (PubChem CID 60664100) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
PubChem CID60664100
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
SMILESCC(NCc1ccc(O)c(O)c1)c1ccccc1F
InChIInChI=1S/C15H16FNO2/c1-10(12-4-2-3-5-13(12)16)17-9-11-6-7-14(18)15(19)8-11/h2-8,10,17-19H,9H2,1H3
InChIKeyKGCZMCFFHPEVLH-UHFFFAOYSA-N
XLogP3.09
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 55025832
4-[[1-(2-chlorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43181373
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
4-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685905
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379771
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300
3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 42914218
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol?
The IUPAC name of 4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol (CID 60664100) is 4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol is CC(NCc1ccc(O)c(O)c1)c1ccccc1F.
What is the InChIKey of 4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol?
The InChIKey is KGCZMCFFHPEVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-10(12-4-2-3-5-13(12)16)17-9-11-6-7-14(18)15(19)8-11/h2-8,10,17-19H,9H2,1H3.
What are the key properties of 4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol?
4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol has a molecular weight of 261.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol is sourced from PubChem (CID 60664100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).