4-(2-aminoethyl)phenol;2-ethoxyethanamine

C12H22N2O2 — CID 70105450

IUPAC4-(2-aminoethyl)phenol;2-ethoxyethanamine
SMILESCCOCCN.NCCc1ccc(O)cc1
InChIInChI=1S/C8H11NO.C4H11NO/c9-6-5-7-1-3-8(10)4-2-7;1-2-6-4-3-5/h1-4,10H,5-6,9H2;2-5H2,1H3
InChIKeyLGEWBUDWXZWEIP-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.88
Rot. Bonds5

About 4-(2-aminoethyl)phenol;2-ethoxyethanamine

4-(2-aminoethyl)phenol;2-ethoxyethanamine (PubChem CID 70105450) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)phenol;2-ethoxyethanamine.

Molecular Properties

Compound Name4-(2-aminoethyl)phenol;2-ethoxyethanamine
PubChem CID70105450
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-(2-aminoethyl)phenol;2-ethoxyethanamine
SMILESCCOCCN.NCCc1ccc(O)cc1
InChIInChI=1S/C8H11NO.C4H11NO/c9-6-5-7-1-3-8(10)4-2-7;1-2-6-4-3-5/h1-4,10H,5-6,9H2;2-5H2,1H3
InChIKeyLGEWBUDWXZWEIP-UHFFFAOYSA-N
XLogP0.88
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-aminoethyl)phenol;2-ethoxyethanamine 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

4-(2-aminoethyl)phenol;phosphoric acid
CID 3029836
4-(2-aminoethyl)aniline;4-(2-aminoethyl)phenol;2-(4-methoxyphenyl)ethanamine
CID 70275717
4-(2-aminoethyl)phenol phosphate
CID 6366959
4-[[2-(2-aminoethoxy)ethyl-ethylamino]methyl]phenol
CID 114263842
1-[4-(2-aminoethyl)phenyl]-2-ethoxyethanone
CID 116577603
4-(3-aminopropyl)phenol
CID 4574248
2-[2-(4-butylphenyl)ethoxy]ethanamine
CID 65300871
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
4-(2-aminoethyl)phenol;N,N'-di(propan-2-yl)methanediimine
CID 131740920
1-(2-ethoxyethyl)-4-ethylbenzene
CID 70640844
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)phenol;2-ethoxyethanamine?
The IUPAC name of 4-(2-aminoethyl)phenol;2-ethoxyethanamine (CID 70105450) is 4-(2-aminoethyl)phenol;2-ethoxyethanamine.
What is the SMILES notation for 4-(2-aminoethyl)phenol;2-ethoxyethanamine?
The canonical SMILES for 4-(2-aminoethyl)phenol;2-ethoxyethanamine is CCOCCN.NCCc1ccc(O)cc1.
What is the InChIKey of 4-(2-aminoethyl)phenol;2-ethoxyethanamine?
The InChIKey is LGEWBUDWXZWEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C4H11NO/c9-6-5-7-1-3-8(10)4-2-7;1-2-6-4-3-5/h1-4,10H,5-6,9H2;2-5H2,1H3.
What are the key properties of 4-(2-aminoethyl)phenol;2-ethoxyethanamine?
4-(2-aminoethyl)phenol;2-ethoxyethanamine has a molecular weight of 226.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)phenol;2-ethoxyethanamine is sourced from PubChem (CID 70105450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).