5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol

C17H22N2O2 — CID 16784608

IUPAC5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol
SMILESCCN(c1ccccc1)C(CN)c1ccc(OC)c(O)c1
InChIInChI=1S/C17H22N2O2/c1-3-19(14-7-5-4-6-8-14)15(12-18)13-9-10-17(21-2)16(20)11-13/h4-11,15,20H,3,12,18H2,1-2H3
InChIKeySMXJFWOUGPNRBC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.93
Rot. Bonds6

About 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol

5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol (PubChem CID 16784608) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol
PubChem CID16784608
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol
SMILESCCN(c1ccccc1)C(CN)c1ccc(OC)c(O)c1
InChIInChI=1S/C17H22N2O2/c1-3-19(14-7-5-4-6-8-14)15(12-18)13-9-10-17(21-2)16(20)11-13/h4-11,15,20H,3,12,18H2,1-2H3
InChIKeySMXJFWOUGPNRBC-UHFFFAOYSA-N
XLogP2.93
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol 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

5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
1-(2-ethoxyphenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43180434
5-[(1R)-1-aminobutyl]-2-methoxyphenol
CID 162344326
5-[(1S)-1-aminobutyl]-2-methoxyphenol;hydrochloride
CID 162344324
2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine
CID 60709858
5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330
2-[ethyl(formyl)amino]-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 63687210
1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 62085737
ethyl (3S)-3-amino-2-fluoro-3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 171246008
ethyl (3R)-3-amino-2-fluoro-3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 171239296
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
1-(5-chloro-2-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 114842813

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol?
The IUPAC name of 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol (CID 16784608) is 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol?
The canonical SMILES for 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol is CCN(c1ccccc1)C(CN)c1ccc(OC)c(O)c1.
What is the InChIKey of 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol?
The InChIKey is SMXJFWOUGPNRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-19(14-7-5-4-6-8-14)15(12-18)13-9-10-17(21-2)16(20)11-13/h4-11,15,20H,3,12,18H2,1-2H3.
What are the key properties of 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol?
5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol has a molecular weight of 286.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-1-(N-ethylanilino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 16784608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).