2-[(4-aminophenyl)methyl-methylamino]ethanol

C10H16N2O — CID 23507043

IUPAC2-[(4-aminophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(N)cc1
InChIInChI=1S/C10H16N2O/c1-12(6-7-13)8-9-2-4-10(11)5-3-9/h2-5,13H,6-8,11H2,1H3
InChIKeyWSZWBUAVTIIUOV-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.69
Rot. Bonds4

About 2-[(4-aminophenyl)methyl-methylamino]ethanol

2-[(4-aminophenyl)methyl-methylamino]ethanol (PubChem CID 23507043) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-methylamino]ethanol
PubChem CID23507043
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[(4-aminophenyl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(N)cc1
InChIInChI=1S/C10H16N2O/c1-12(6-7-13)8-9-2-4-10(11)5-3-9/h2-5,13H,6-8,11H2,1H3
InChIKeyWSZWBUAVTIIUOV-UHFFFAOYSA-N
XLogP0.69
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
2-[methyl-[(4-phenylphenyl)methyl]amino]ethanol
CID 60683589
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265
methyl 4-[(4-aminophenyl)methyl-methylamino]butanoate
CID 43458294
4-[3-[(4-fluorophenyl)methyl-methylamino]propyl]aniline
CID 115341840
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
2-[(3,4-dibromophenyl)methyl-methylamino]ethanol
CID 115879563
2-[(4-aminophenyl)methyl-methylamino]propane-1,3-diol
CID 18472400

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]ethanol (CID 23507043) is 2-[(4-aminophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(4-aminophenyl)methyl-methylamino]ethanol is CN(CCO)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-methylamino]ethanol?
The InChIKey is WSZWBUAVTIIUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12(6-7-13)8-9-2-4-10(11)5-3-9/h2-5,13H,6-8,11H2,1H3.
What are the key properties of 2-[(4-aminophenyl)methyl-methylamino]ethanol?
2-[(4-aminophenyl)methyl-methylamino]ethanol has a molecular weight of 180.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 23507043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).