2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride

C15H21ClN2O — CID 14197121

IUPAC2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
SMILESCc1ccc2[nH]c3c(c2c1)CCCC3NCCO.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-10-5-6-13-12(9-10)11-3-2-4-14(15(11)17-13)16-7-8-18;/h5-6,9,14,16-18H,2-4,7-8H2,1H3;1H
InChIKeyNWYSYCDJBCLXBS-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.86
Rot. Bonds3

About 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride

2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride (PubChem CID 14197121) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
PubChem CID14197121
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
SMILESCc1ccc2[nH]c3c(c2c1)CCCC3NCCO.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-10-5-6-13-12(9-10)11-3-2-4-14(15(11)17-13)16-7-8-18;/h5-6,9,14,16-18H,2-4,7-8H2,1H3;1H
InChIKeyNWYSYCDJBCLXBS-UHFFFAOYSA-N
XLogP2.86
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride?
The IUPAC name of 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride (CID 14197121) is 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride?
The canonical SMILES for 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride is Cc1ccc2[nH]c3c(c2c1)CCCC3NCCO.Cl.
What is the InChIKey of 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride?
The InChIKey is NWYSYCDJBCLXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-10-5-6-13-12(9-10)11-3-2-4-14(15(11)17-13)16-7-8-18;/h5-6,9,14,16-18H,2-4,7-8H2,1H3;1H.
What are the key properties of 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride?
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride is sourced from PubChem (CID 14197121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).