2-(1-aminoethyl)-4-ethoxyphenol

C10H15NO2 — CID 19748523

IUPAC2-(1-aminoethyl)-4-ethoxyphenol
SMILESCCOc1ccc(O)c(C(C)N)c1
InChIInChI=1S/C10H15NO2/c1-3-13-8-4-5-10(12)9(6-8)7(2)11/h4-7,12H,3,11H2,1-2H3
InChIKeyHNYSSVDZOUGKEU-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.81
Rot. Bonds3

About 2-(1-aminoethyl)-4-ethoxyphenol

2-(1-aminoethyl)-4-ethoxyphenol (PubChem CID 19748523) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-ethoxyphenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-ethoxyphenol
PubChem CID19748523
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-(1-aminoethyl)-4-ethoxyphenol
SMILESCCOc1ccc(O)c(C(C)N)c1
InChIInChI=1S/C10H15NO2/c1-3-13-8-4-5-10(12)9(6-8)7(2)11/h4-7,12H,3,11H2,1-2H3
InChIKeyHNYSSVDZOUGKEU-UHFFFAOYSA-N
XLogP1.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.81
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

2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-ethoxyphenol
CID 66510272
2-butan-2-yl-4-(4-ethoxyphenoxy)phenol
CID 21466417
5-ethoxy-2-(1-hydroxyethyl)phenol
CID 152793520
2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol
CID 55262532
4-ethoxy-2-methoxyphenol
CID 54107015
(2S)-2-amino-2-(5-butoxy-2-hydroxyphenyl)acetic acid
CID 66512953
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
2-(1-aminopropyl)-4-methoxyphenol
CID 19748508
4-ethoxy-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 115602892
2-[(1S)-1-aminoethyl]-4-sulfanylphenol
CID 130635425
2-[(1R,2S)-1-amino-2-hydroxy-3-methylpentyl]-4-methoxyphenol
CID 171261862
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-5-methoxyphenyl)propanoate;hydrochloride
CID 171240573

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-ethoxyphenol?
The IUPAC name of 2-(1-aminoethyl)-4-ethoxyphenol (CID 19748523) is 2-(1-aminoethyl)-4-ethoxyphenol.
What is the SMILES notation for 2-(1-aminoethyl)-4-ethoxyphenol?
The canonical SMILES for 2-(1-aminoethyl)-4-ethoxyphenol is CCOc1ccc(O)c(C(C)N)c1.
What is the InChIKey of 2-(1-aminoethyl)-4-ethoxyphenol?
The InChIKey is HNYSSVDZOUGKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-13-8-4-5-10(12)9(6-8)7(2)11/h4-7,12H,3,11H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-4-ethoxyphenol?
2-(1-aminoethyl)-4-ethoxyphenol has a molecular weight of 181.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-ethoxyphenol is sourced from PubChem (CID 19748523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).