2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol

C16H23N3O2 — CID 23287093

IUPAC2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol
SMILESCc1cc(N)c(-c2ccn(C)c2)cc1N(CCO)CCO
InChIInChI=1S/C16H23N3O2/c1-12-9-15(17)14(13-3-4-18(2)11-13)10-16(12)19(5-7-20)6-8-21/h3-4,9-11,20-21H,5-8,17H2,1-2H3
InChIKeyKGKLUAKKSBBDIE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.37
Rot. Bonds6

About 2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol

2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol (PubChem CID 23287093) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol
PubChem CID23287093
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol
SMILESCc1cc(N)c(-c2ccn(C)c2)cc1N(CCO)CCO
InChIInChI=1S/C16H23N3O2/c1-12-9-15(17)14(13-3-4-18(2)11-13)10-16(12)19(5-7-20)6-8-21/h3-4,9-11,20-21H,5-8,17H2,1-2H3
InChIKeyKGKLUAKKSBBDIE-UHFFFAOYSA-N
XLogP1.37
TPSA74.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol (CID 23287093) is 2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol is Cc1cc(N)c(-c2ccn(C)c2)cc1N(CCO)CCO.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol?
The InChIKey is KGKLUAKKSBBDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-9-15(17)14(13-3-4-18(2)11-13)10-16(12)19(5-7-20)6-8-21/h3-4,9-11,20-21H,5-8,17H2,1-2H3.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol has a molecular weight of 289.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-N-(2-hydroxyethyl)-2-methyl-5-(1-methylpyrrol-3-yl)anilino]ethanol is sourced from PubChem (CID 23287093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).