2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol

C17H22N2O2 — CID 175791160

IUPAC2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol
SMILESCc1ccccc1-c1c(N)cccc1N(CCO)CCO
InChIInChI=1S/C17H22N2O2/c1-13-5-2-3-6-14(13)17-15(18)7-4-8-16(17)19(9-11-20)10-12-21/h2-8,20-21H,9-12,18H2,1H3
InChIKeyJZQVKWHHIQIMDF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.04
Rot. Bonds6

About 2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol

2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol (PubChem CID 175791160) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol
PubChem CID175791160
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol
SMILESCc1ccccc1-c1c(N)cccc1N(CCO)CCO
InChIInChI=1S/C17H22N2O2/c1-13-5-2-3-6-14(13)17-15(18)7-4-8-16(17)19(9-11-20)10-12-21/h2-8,20-21H,9-12,18H2,1H3
InChIKeyJZQVKWHHIQIMDF-UHFFFAOYSA-N
XLogP2.04
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol?
The IUPAC name of 2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol (CID 175791160) is 2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol.
What is the SMILES notation for 2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol?
The canonical SMILES for 2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol is Cc1ccccc1-c1c(N)cccc1N(CCO)CCO.
What is the InChIKey of 2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol?
The InChIKey is JZQVKWHHIQIMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-5-2-3-6-14(13)17-15(18)7-4-8-16(17)19(9-11-20)10-12-21/h2-8,20-21H,9-12,18H2,1H3.
What are the key properties of 2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol?
2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-N-(2-hydroxyethyl)-2-(2-methylphenyl)anilino]ethanol is sourced from PubChem (CID 175791160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).