2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol

C17H20FNO2 — CID 107711088

IUPAC2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
SMILESCc1cc(F)ccc1CCNC(C)c1c(O)cccc1O
InChIInChI=1S/C17H20FNO2/c1-11-10-14(18)7-6-13(11)8-9-19-12(2)17-15(20)4-3-5-16(17)21/h3-7,10,12,19-21H,8-9H2,1-2H3
InChIKeyYRGMWKQIZITQHD-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.44
Rot. Bonds5

About 2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol

2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol (PubChem CID 107711088) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
PubChem CID107711088
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
SMILESCc1cc(F)ccc1CCNC(C)c1c(O)cccc1O
InChIInChI=1S/C17H20FNO2/c1-11-10-14(18)7-6-13(11)8-9-19-12(2)17-15(20)4-3-5-16(17)21/h3-7,10,12,19-21H,8-9H2,1-2H3
InChIKeyYRGMWKQIZITQHD-UHFFFAOYSA-N
XLogP3.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromofuran-2-yl)-N-[2-(4-fluoro-2-methylphenyl)ethyl]ethanamine
CID 104653123
2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106413806
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 107710460
N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 115526630
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 63068009
2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 115908417
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 113254028
1-[2-(4-fluoro-2-methylphenyl)ethylamino]-2,3-dimethylbutan-2-ol
CID 114493387
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112697844
2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 107685868
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol (CID 107711088) is 2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol is Cc1cc(F)ccc1CCNC(C)c1c(O)cccc1O.
What is the InChIKey of 2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol?
The InChIKey is YRGMWKQIZITQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11-10-14(18)7-6-13(11)8-9-19-12(2)17-15(20)4-3-5-16(17)21/h3-7,10,12,19-21H,8-9H2,1-2H3.
What are the key properties of 2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol?
2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol has a molecular weight of 289.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluoro-2-methylphenyl)ethylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107711088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).