2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol

C10H15ClN2O — CID 62682725

IUPAC2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
SMILESCN(CCN)Cc1cc(Cl)ccc1O
InChIInChI=1S/C10H15ClN2O/c1-13(5-4-12)7-8-6-9(11)2-3-10(8)14/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyZEEMAHYOKCHQSJ-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.44
Rot. Bonds4

About 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol

2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol (PubChem CID 62682725) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
PubChem CID62682725
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol
SMILESCN(CCN)Cc1cc(Cl)ccc1O
InChIInChI=1S/C10H15ClN2O/c1-13(5-4-12)7-8-6-9(11)2-3-10(8)14/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyZEEMAHYOKCHQSJ-UHFFFAOYSA-N
XLogP1.44
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol 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-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol
CID 46840087
2-[[amino(methyl)amino]methyl]-4-chlorophenol
CID 130033260
4-[(5-chloro-2-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068329
N'-[(5-chloro-2-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 79580674
4-chloro-2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol;bis(2,2,2-trifluoroacetic acid)
CID 46907950
4-[[(5-chloro-2-hydroxyphenyl)methyl-methylamino]methyl]benzoic acid
CID 65051860
4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol
CID 62682581
4-chloro-2-[(dipropylamino)methyl]phenol
CID 82977690
2-[[3-aminopropyl(methyl)amino]methyl]-4-methylphenol
CID 115318694
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 82980475
2-[[(4-aminocyclohexyl)-methylamino]methyl]-4-chlorophenol
CID 79114977
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351

Frequently Asked Questions

What is the IUPAC name of 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol?
The IUPAC name of 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol (CID 62682725) is 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol.
What is the SMILES notation for 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol?
The canonical SMILES for 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol is CN(CCN)Cc1cc(Cl)ccc1O.
What is the InChIKey of 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol?
The InChIKey is ZEEMAHYOKCHQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-13(5-4-12)7-8-6-9(11)2-3-10(8)14/h2-3,6,14H,4-5,7,12H2,1H3.
What are the key properties of 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol?
2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol has a molecular weight of 214.70 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-aminoethyl(methyl)amino]methyl]-4-chlorophenol is sourced from PubChem (CID 62682725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).