2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol

C15H17N3O — CID 86074946

IUPAC2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol
SMILESNc1ccc(CNCCO)c2[nH]c3ccccc3c12
InChIInChI=1S/C15H17N3O/c16-12-6-5-10(9-17-7-8-19)15-14(12)11-3-1-2-4-13(11)18-15/h1-6,17-19H,7-9,16H2
InChIKeyBUFRASIUGHUMPN-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.99
Rot. Bonds4

About 2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol

2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol (PubChem CID 86074946) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol
PubChem CID86074946
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol
SMILESNc1ccc(CNCCO)c2[nH]c3ccccc3c12
InChIInChI=1S/C15H17N3O/c16-12-6-5-10(9-17-7-8-19)15-14(12)11-3-1-2-4-13(11)18-15/h1-6,17-19H,7-9,16H2
InChIKeyBUFRASIUGHUMPN-UHFFFAOYSA-N
XLogP1.99
TPSA74.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-9H-carbazol-1-yl)methylamino]ethanol?
The IUPAC name of 2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol (CID 86074946) is 2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol?
The canonical SMILES for 2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol is Nc1ccc(CNCCO)c2[nH]c3ccccc3c12.
What is the InChIKey of 2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol?
The InChIKey is BUFRASIUGHUMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-12-6-5-10(9-17-7-8-19)15-14(12)11-3-1-2-4-13(11)18-15/h1-6,17-19H,7-9,16H2.
What are the key properties of 2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol?
2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol has a molecular weight of 255.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-9H-carbazol-1-yl)methylamino]ethanol is sourced from PubChem (CID 86074946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).