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

C15H21N3O2 — CID 23286948

IUPAC2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol
SMILESCn1ccc(-c2cc(N(CCO)CCO)ccc2N)c1
InChIInChI=1S/C15H21N3O2/c1-17-5-4-12(11-17)14-10-13(2-3-15(14)16)18(6-8-19)7-9-20/h2-5,10-11,19-20H,6-9,16H2,1H3
InChIKeyNDDJEYFVYJELAF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.07
Rot. Bonds6

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

2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol (PubChem CID 23286948) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol
PubChem CID23286948
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol
SMILESCn1ccc(-c2cc(N(CCO)CCO)ccc2N)c1
InChIInChI=1S/C15H21N3O2/c1-17-5-4-12(11-17)14-10-13(2-3-15(14)16)18(6-8-19)7-9-20/h2-5,10-11,19-20H,6-9,16H2,1H3
InChIKeyNDDJEYFVYJELAF-UHFFFAOYSA-N
XLogP1.07
TPSA74.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.07
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)-3-(1-methylpyrrol-3-yl)anilino]ethanol?
The IUPAC name of 2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol (CID 23286948) is 2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol.
What is the SMILES notation for 2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol?
The canonical SMILES for 2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol is Cn1ccc(-c2cc(N(CCO)CCO)ccc2N)c1.
What is the InChIKey of 2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol?
The InChIKey is NDDJEYFVYJELAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-5-4-12(11-17)14-10-13(2-3-15(14)16)18(6-8-19)7-9-20/h2-5,10-11,19-20H,6-9,16H2,1H3.
What are the key properties of 2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol?
2-[4-amino-N-(2-hydroxyethyl)-3-(1-methylpyrrol-3-yl)anilino]ethanol has a molecular weight of 275.35 g/mol, XLogP of 1.07, 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)-3-(1-methylpyrrol-3-yl)anilino]ethanol is sourced from PubChem (CID 23286948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).