3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol

C17H21N3O2 — CID 68825245

IUPAC3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol
SMILESNc1ccc(NCCCO)c2c3ccccc3n(CCO)c12
InChIInChI=1S/C17H21N3O2/c18-13-6-7-14(19-8-3-10-21)16-12-4-1-2-5-15(12)20(9-11-22)17(13)16/h1-2,4-7,19,21-22H,3,8-11,18H2
InChIKeyIDNKJMSQUATGEE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.16
Rot. Bonds6

About 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol

3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol (PubChem CID 68825245) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol
PubChem CID68825245
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol
SMILESNc1ccc(NCCCO)c2c3ccccc3n(CCO)c12
InChIInChI=1S/C17H21N3O2/c18-13-6-7-14(19-8-3-10-21)16-12-4-1-2-5-15(12)20(9-11-22)17(13)16/h1-2,4-7,19,21-22H,3,8-11,18H2
InChIKeyIDNKJMSQUATGEE-UHFFFAOYSA-N
XLogP2.16
TPSA83.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-diaminocarbazol-9-yl)ethanol
CID 68825203
9-(2-hydroxyethyl)carbazol-4-ol
CID 68822373
2-[(4-amino-9-methylcarbazol-1-yl)methylamino]ethanol
CID 86074973
2-[1-amino-9-(2-hydroxyethyl)carbazol-2-yl]phenol
CID 174518186
2-[[9-(2-hydroxyethyl)carbazol-2-yl]amino]ethanol
CID 68826331
4-[9-(2-hydroxyethyl)carbazol-4-yl]phenol
CID 174504049
3-[(8-aminoisoquinolin-5-yl)amino]propan-1-ol
CID 43448813
2-(3-aminocarbazol-9-yl)ethanol;hydrochloride
CID 66915381
4-(5-hydroxypentylamino)-1-methylquinolin-2-one
CID 107318105
3-(2-amino-5-chloroanilino)propan-1-ol
CID 20506299
4-(3-hydroxypropylamino)naphthalene-1-carbonitrile
CID 11148845
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255

Frequently Asked Questions

What is the IUPAC name of 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol (CID 68825245) is 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol is Nc1ccc(NCCCO)c2c3ccccc3n(CCO)c12.
What is the InChIKey of 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol?
The InChIKey is IDNKJMSQUATGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c18-13-6-7-14(19-8-3-10-21)16-12-4-1-2-5-15(12)20(9-11-22)17(13)16/h1-2,4-7,19,21-22H,3,8-11,18H2.
What are the key properties of 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol?
3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol has a molecular weight of 299.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-amino-9-(2-hydroxyethyl)carbazol-4-yl]amino]propan-1-ol is sourced from PubChem (CID 68825245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).