1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol

C20H23ClN2O2 — CID 11187476

IUPAC1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCOc1cccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c12
InChIInChI=1S/C20H23ClN2O2/c1-13(22-12-18(24)14-5-3-6-16(21)10-14)9-15-11-23-20-17(15)7-4-8-19(20)25-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3
InChIKeyYJSBONOKYYPFLW-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.08
Rot. Bonds7

About 1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol

1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol (PubChem CID 11187476) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
PubChem CID11187476
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol
SMILESCOc1cccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c12
InChIInChI=1S/C20H23ClN2O2/c1-13(22-12-18(24)14-5-3-6-16(21)10-14)9-15-11-23-20-17(15)7-4-8-19(20)25-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3
InChIKeyYJSBONOKYYPFLW-UHFFFAOYSA-N
XLogP4.08
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Rafabegron
CID 5493324
2-(7-methoxy-1H-indol-3-yl)ethan-1-amine
CID 17087
3-[(2S)-2-amino-3-({6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10194362
7-Benzyloxytryptamine
CID 260806
(3-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-1H-indol-7-yloxy)-acetic acid
CID 6916441
(R)-1-(3-Chloro-phenyl)-2-[2-(7-methoxy-1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 9906822
(R)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 9927453
(R)-1-(3-Chloro-phenyl)-2-[2-(7-ethoxy-1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11199616
1-(3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11324939
(3-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-1H-indol-7-yloxy)-acetic acid methyl ester
CID 11373418
7-Benzyloxygramine
CID 260807
(R)-1-((R)-3-Chloro-phenyl)-2-[2-(7-methoxy-1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11268355

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol (CID 11187476) is 1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol is COc1cccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c12.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
The InChIKey is YJSBONOKYYPFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-13(22-12-18(24)14-5-3-6-16(21)10-14)9-15-11-23-20-17(15)7-4-8-19(20)25-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol?
1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol has a molecular weight of 358.87 g/mol, XLogP of 4.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[1-(7-methoxy-1H-indol-3-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 11187476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).