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

C18H19ClN2O — CID 11163954

IUPAC1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
SMILESOC(CNCCc1c[nH]c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O/c19-15-5-3-4-13(10-15)18(22)12-20-9-8-14-11-21-17-7-2-1-6-16(14)17/h1-7,10-11,18,20-22H,8-9,12H2
InChIKeyDATMWMOSAVTPED-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.69
Rot. Bonds6

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

1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol (PubChem CID 11163954) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
PubChem CID11163954
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
SMILESOC(CNCCc1c[nH]c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O/c19-15-5-3-4-13(10-15)18(22)12-20-9-8-14-11-21-17-7-2-1-6-16(14)17/h1-7,10-11,18,20-22H,8-9,12H2
InChIKeyDATMWMOSAVTPED-UHFFFAOYSA-N
XLogP3.69
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol
CID 11324939
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 35726366
1-(3-chlorophenyl)-2-[2-(2H-indazol-3-yl)ethylamino]ethanol
CID 11269732
N-[2-(1H-indol-3-yl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17158293
2-[2-(4-benzylphenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 14368692
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
CID 82118518
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
1-(3-chlorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664434
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
2-[2-(4-aminophenyl)ethylamino]-1-(3-chlorophenyl)ethanol
CID 18521685
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol (CID 11163954) is 1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol is OC(CNCCc1c[nH]c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol?
The InChIKey is DATMWMOSAVTPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-15-5-3-4-13(10-15)18(22)12-20-9-8-14-11-21-17-7-2-1-6-16(14)17/h1-7,10-11,18,20-22H,8-9,12H2.
What are the key properties of 1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol?
1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol has a molecular weight of 314.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 11163954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).