2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine

C20H23ClN2O — CID 83976499

IUPAC2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1cccc(CC(CN)c2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C20H23ClN2O/c1-13(2)24-17-5-3-4-14(9-17)8-15(11-22)19-12-23-20-7-6-16(21)10-18(19)20/h3-7,9-10,12-13,15,23H,8,11,22H2,1-2H3
InChIKeyWGJTZCTYBHIGCC-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.89
Rot. Bonds6

About 2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine

2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 83976499) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
PubChem CID83976499
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCC(C)Oc1cccc(CC(CN)c2c[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C20H23ClN2O/c1-13(2)24-17-5-3-4-14(9-17)8-15(11-22)19-12-23-20-7-6-16(21)10-18(19)20/h3-7,9-10,12-13,15,23H,8,11,22H2,1-2H3
InChIKeyWGJTZCTYBHIGCC-UHFFFAOYSA-N
XLogP4.89
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
CID 83976598
2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 83976433
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976611
1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene
CID 91551741
2-(2-ethoxy-5-fluorophenyl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83974775
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
CID 83976615
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine (CID 83976499) is 2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine is CC(C)Oc1cccc(CC(CN)c2c[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is WGJTZCTYBHIGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-13(2)24-17-5-3-4-14(9-17)8-15(11-22)19-12-23-20-7-6-16(21)10-18(19)20/h3-7,9-10,12-13,15,23H,8,11,22H2,1-2H3.
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine?
2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 342.87 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 83976499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).