2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol

C19H28N4O2 — CID 91592097

IUPAC2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol
SMILESCN(C)c1cccc(NCc2cc(N)ccc2N(CCO)CCO)c1
InChIInChI=1S/C19H28N4O2/c1-22(2)18-5-3-4-17(13-18)21-14-15-12-16(20)6-7-19(15)23(8-10-24)9-11-25/h3-7,12-13,21,24-25H,8-11,14,20H2,1-2H3
InChIKeyCVEGLJRHWPFWAY-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.74
Rot. Bonds9

About 2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol

2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 91592097) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID91592097
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol
SMILESCN(C)c1cccc(NCc2cc(N)ccc2N(CCO)CCO)c1
InChIInChI=1S/C19H28N4O2/c1-22(2)18-5-3-4-17(13-18)21-14-15-12-16(20)6-7-19(15)23(8-10-24)9-11-25/h3-7,12-13,21,24-25H,8-11,14,20H2,1-2H3
InChIKeyCVEGLJRHWPFWAY-UHFFFAOYSA-N
XLogP1.74
TPSA84.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol (CID 91592097) is 2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol is CN(C)c1cccc(NCc2cc(N)ccc2N(CCO)CCO)c1.
What is the InChIKey of 2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is CVEGLJRHWPFWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22(2)18-5-3-4-17(13-18)21-14-15-12-16(20)6-7-19(15)23(8-10-24)9-11-25/h3-7,12-13,21,24-25H,8-11,14,20H2,1-2H3.
What are the key properties of 2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol?
2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 344.46 g/mol, XLogP of 1.74, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-[[3-(dimethylamino)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 91592097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).