2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol

C18H23NO2 — CID 61236951

IUPAC2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol
SMILESCCOc1ccc(C(C)Nc2ccc(CCO)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-18-10-6-16(7-11-18)14(2)19-17-8-4-15(5-9-17)12-13-20/h4-11,14,19-20H,3,12-13H2,1-2H3
InChIKeyLCDZXTYKGFNBQJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.79
Rot. Bonds7

About 2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol

2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol (PubChem CID 61236951) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol
PubChem CID61236951
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol
SMILESCCOc1ccc(C(C)Nc2ccc(CCO)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-21-18-10-6-16(7-11-18)14(2)19-17-8-4-15(5-9-17)12-13-20/h4-11,14,19-20H,3,12-13H2,1-2H3
InChIKeyLCDZXTYKGFNBQJ-UHFFFAOYSA-N
XLogP3.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
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2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927
2-[4-[1-(4-fluorophenyl)ethylamino]phenyl]ethanol
CID 61236407
2-[4-[1-[4-(dimethylamino)phenyl]ethylamino]phenyl]ethanol
CID 61238255
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 110907925
2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
CID 107709067
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
5-[1-(4-ethoxyanilino)ethyl]furan-2-carboxylic acid
CID 103231754
N-[1-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43104651
N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-ethoxyaniline
CID 43757906

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol (CID 61236951) is 2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol is CCOc1ccc(C(C)Nc2ccc(CCO)cc2)cc1.
What is the InChIKey of 2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol?
The InChIKey is LCDZXTYKGFNBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-21-18-10-6-16(7-11-18)14(2)19-17-8-4-15(5-9-17)12-13-20/h4-11,14,19-20H,3,12-13H2,1-2H3.
What are the key properties of 2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol?
2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol is sourced from PubChem (CID 61236951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).