1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol

C17H18ClN3O — CID 11269732

IUPAC1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol
SMILESOC(CNCCc1[nH]nc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O/c18-13-5-3-4-12(10-13)17(22)11-19-9-8-16-14-6-1-2-7-15(14)20-21-16/h1-7,10,17,19,22H,8-9,11H2,(H,20,21)
InChIKeyWYEXJYZHVBHZIK-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.08
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol

1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol (PubChem CID 11269732) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol
PubChem CID11269732
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol
SMILESOC(CNCCc1[nH]nc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O/c18-13-5-3-4-12(10-13)17(22)11-19-9-8-16-14-6-1-2-7-15(14)20-21-16/h1-7,10,17,19,22H,8-9,11H2,(H,20,21)
InChIKeyWYEXJYZHVBHZIK-UHFFFAOYSA-N
XLogP3.08
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
CID 11163954
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 14368692
4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
CID 14368658
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
1-(3-chlorophenyl)-2-[2-(6-methyl-1-benzothiophen-3-yl)ethylamino]ethanol
CID 139692021
methyl 2-[3-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]indol-1-yl]acetate;hydrochloride
CID 139699361
4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenoxy]benzoic acid
CID 24824228
2-[4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]benzoyl]phenoxy]acetic acid
CID 24824227
N-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride
CID 46193817
2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 52904788

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol (CID 11269732) is 1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol is OC(CNCCc1[nH]nc2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol?
The InChIKey is WYEXJYZHVBHZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-13-5-3-4-12(10-13)17(22)11-19-9-8-16-14-6-1-2-7-15(14)20-21-16/h1-7,10,17,19,22H,8-9,11H2,(H,20,21).
What are the key properties of 1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol?
1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol has a molecular weight of 315.80 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 11269732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).