2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol

C12H21N3O — CID 18417773

IUPAC2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol
SMILESCN(C)CCN(CCO)c1ccccc1N
InChIInChI=1S/C12H21N3O/c1-14(2)7-8-15(9-10-16)12-6-4-3-5-11(12)13/h3-6,16H,7-10,13H2,1-2H3
InChIKeyCDVKKMULCHLSLY-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.63
Rot. Bonds6

About 2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol

2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol (PubChem CID 18417773) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol.

Molecular Properties

Compound Name2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol
PubChem CID18417773
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol
SMILESCN(C)CCN(CCO)c1ccccc1N
InChIInChI=1S/C12H21N3O/c1-14(2)7-8-15(9-10-16)12-6-4-3-5-11(12)13/h3-6,16H,7-10,13H2,1-2H3
InChIKeyCDVKKMULCHLSLY-UHFFFAOYSA-N
XLogP0.63
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 114525625
2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol
CID 175791160
2-N,2-N-bis(2-chloroethyl)benzene-1,2-diamine;hydrobromide
CID 45260144
3-[2-amino-N-(3-hydroxypropyl)anilino]propanoic acid
CID 63118484
ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 19811357
2-[2-ethyl-N-(2-hydroxyethyl)anilino]ethanol
CID 21391330
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
3-[2-amino-N-(5-hydroxypentyl)anilino]propanoic acid
CID 63118452
2-[2-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 94254513
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
2-N-(2-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 86253618

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol?
The IUPAC name of 2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol (CID 18417773) is 2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol.
What is the SMILES notation for 2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol?
The canonical SMILES for 2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol is CN(C)CCN(CCO)c1ccccc1N.
What is the InChIKey of 2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol?
The InChIKey is CDVKKMULCHLSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14(2)7-8-15(9-10-16)12-6-4-3-5-11(12)13/h3-6,16H,7-10,13H2,1-2H3.
What are the key properties of 2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol?
2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol is sourced from PubChem (CID 18417773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).