1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol

C20H23ClN2O — CID 11221586

IUPAC1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCc1ccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c2c1
InChIInChI=1S/C20H23ClN2O/c1-13-6-7-18-16(11-23-19(18)8-13)9-14(2)22-12-20(24)15-4-3-5-17(21)10-15/h3-8,10-11,14,20,22-24H,9,12H2,1-2H3
InChIKeyWOWWREMXHNACHB-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.38
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol

1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol (PubChem CID 11221586) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol
PubChem CID11221586
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCc1ccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c2c1
InChIInChI=1S/C20H23ClN2O/c1-13-6-7-18-16(11-23-19(18)8-13)9-14(2)22-12-20(24)15-4-3-5-17(21)10-15/h3-8,10-11,14,20,22-24H,9,12H2,1-2H3
InChIKeyWOWWREMXHNACHB-UHFFFAOYSA-N
XLogP4.38
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

L-741,626
CID 133633
Indole, 14
CID 44473055
(R)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 9927453
1-(3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11324939
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
(1S,5R)-3-(4-chlorophenyl)-8-(1H-indol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 25129807
8-(2-(1H-indol-3-yl)ethyl)-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 44591042
(R)-1-((S)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11270069
(S)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11270071
(S)-1-((S)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11381882
{1-[(3-Chlorophenyl)methyl]-1H-indol-3-yl}methanol
CID 13288729

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol (CID 11221586) is 1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol is Cc1ccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c2c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol?
The InChIKey is WOWWREMXHNACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-13-6-7-18-16(11-23-19(18)8-13)9-14(2)22-12-20(24)15-4-3-5-17(21)10-15/h3-8,10-11,14,20,22-24H,9,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol has a molecular weight of 342.87 g/mol, XLogP of 4.38, 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-[1-(6-methyl-1H-indol-3-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 11221586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).