3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

C19H21ClN2O — CID 58088506

IUPAC3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(OC)cc1)n1ccc2c(Cl)cccc21
InChIInChI=1S/C19H21ClN2O/c1-21-12-10-18(14-6-8-15(23-2)9-7-14)22-13-11-16-17(20)4-3-5-19(16)22/h3-9,11,13,18,21H,10,12H2,1-2H3
InChIKeyCQNKNHQSUFTQAQ-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.50
Rot. Bonds6

About 3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 58088506) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID58088506
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(OC)cc1)n1ccc2c(Cl)cccc21
InChIInChI=1S/C19H21ClN2O/c1-21-12-10-18(14-6-8-15(23-2)9-7-14)22-13-11-16-17(20)4-3-5-19(16)22/h3-9,11,13,18,21H,10,12H2,1-2H3
InChIKeyCQNKNHQSUFTQAQ-UHFFFAOYSA-N
XLogP4.50
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (CID 58088506) is 3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is CNCCC(c1ccc(OC)cc1)n1ccc2c(Cl)cccc21.
What is the InChIKey of 3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is CQNKNHQSUFTQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-21-12-10-18(14-6-8-15(23-2)9-7-14)22-13-11-16-17(20)4-3-5-19(16)22/h3-9,11,13,18,21H,10,12H2,1-2H3.
What are the key properties of 3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 328.84 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroindol-1-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 58088506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).