2-[1-(3-ethoxyanilino)ethyl]phenol

C16H19NO2 — CID 54865033

IUPAC2-[1-(3-ethoxyanilino)ethyl]phenol
SMILESCCOc1cccc(NC(C)c2ccccc2O)c1
InChIInChI=1S/C16H19NO2/c1-3-19-14-8-6-7-13(11-14)17-12(2)15-9-4-5-10-16(15)18/h4-12,17-18H,3H2,1-2H3
InChIKeyVFOBMTDFYNBTSN-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.96
Rot. Bonds5

About 2-[1-(3-ethoxyanilino)ethyl]phenol

2-[1-(3-ethoxyanilino)ethyl]phenol (PubChem CID 54865033) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[1-(3-ethoxyanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(3-ethoxyanilino)ethyl]phenol
PubChem CID54865033
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[1-(3-ethoxyanilino)ethyl]phenol
SMILESCCOc1cccc(NC(C)c2ccccc2O)c1
InChIInChI=1S/C16H19NO2/c1-3-19-14-8-6-7-13(11-14)17-12(2)15-9-4-5-10-16(15)18/h4-12,17-18H,3H2,1-2H3
InChIKeyVFOBMTDFYNBTSN-UHFFFAOYSA-N
XLogP3.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
2-[1-(3-propoxyanilino)ethyl]benzene-1,4-diol
CID 43693728
N-[1-(2-methylphenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449937
3-ethoxy-N-[(2R)-pentan-2-yl]aniline
CID 93363089
3-ethoxy-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993267
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
CID 60935970
3-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917474
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63066351
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethoxyanilino)ethyl]phenol?
The IUPAC name of 2-[1-(3-ethoxyanilino)ethyl]phenol (CID 54865033) is 2-[1-(3-ethoxyanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(3-ethoxyanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(3-ethoxyanilino)ethyl]phenol is CCOc1cccc(NC(C)c2ccccc2O)c1.
What is the InChIKey of 2-[1-(3-ethoxyanilino)ethyl]phenol?
The InChIKey is VFOBMTDFYNBTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-19-14-8-6-7-13(11-14)17-12(2)15-9-4-5-10-16(15)18/h4-12,17-18H,3H2,1-2H3.
What are the key properties of 2-[1-(3-ethoxyanilino)ethyl]phenol?
2-[1-(3-ethoxyanilino)ethyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethoxyanilino)ethyl]phenol is sourced from PubChem (CID 54865033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).