2-[(1-aminoethylamino)methyl]phenol

C9H14N2O — CID 67733562

IUPAC2-[(1-aminoethylamino)methyl]phenol
SMILESCC(N)NCc1ccccc1O
InChIInChI=1S/C9H14N2O/c1-7(10)11-6-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6,10H2,1H3
InChIKeyDBFUZWYHCLYORO-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.79
Rot. Bonds3

About 2-[(1-aminoethylamino)methyl]phenol

2-[(1-aminoethylamino)methyl]phenol (PubChem CID 67733562) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[(1-aminoethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(1-aminoethylamino)methyl]phenol
PubChem CID67733562
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[(1-aminoethylamino)methyl]phenol
SMILESCC(N)NCc1ccccc1O
InChIInChI=1S/C9H14N2O/c1-7(10)11-6-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6,10H2,1H3
InChIKeyDBFUZWYHCLYORO-UHFFFAOYSA-N
XLogP0.79
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1-aminoethylamino)methyl]phenol 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

2-[(1-phenylethylamino)methyl]phenol
CID 3669487
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
2-[(2-hydroxyphenyl)methylamino]propanenitrile
CID 114331988
2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol
CID 43103836
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methylbutanamide
CID 114332302
2-[(6-methylheptan-2-ylamino)methyl]phenol
CID 43102859
2-(2,3-diaminobutyl)phenol
CID 134347246
2-[(1-cyclopropylpropan-2-ylamino)methyl]phenol
CID 63988689
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
N-ethyl-2-[(2-hydroxyphenyl)methylamino]propanamide
CID 18546205
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminoethylamino)methyl]phenol?
The IUPAC name of 2-[(1-aminoethylamino)methyl]phenol (CID 67733562) is 2-[(1-aminoethylamino)methyl]phenol.
What is the SMILES notation for 2-[(1-aminoethylamino)methyl]phenol?
The canonical SMILES for 2-[(1-aminoethylamino)methyl]phenol is CC(N)NCc1ccccc1O.
What is the InChIKey of 2-[(1-aminoethylamino)methyl]phenol?
The InChIKey is DBFUZWYHCLYORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(10)11-6-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6,10H2,1H3.
What are the key properties of 2-[(1-aminoethylamino)methyl]phenol?
2-[(1-aminoethylamino)methyl]phenol has a molecular weight of 166.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminoethylamino)methyl]phenol is sourced from PubChem (CID 67733562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).