2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine

C19H19ClN2O — CID 144945299

IUPAC2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine
SMILESCNc1ccc2c(c1)cc(-c1ccc(Cl)cc1)n2C1CCOC1
InChIInChI=1S/C19H19ClN2O/c1-21-16-6-7-18-14(10-16)11-19(13-2-4-15(20)5-3-13)22(18)17-8-9-23-12-17/h2-7,10-11,17,21H,8-9,12H2,1H3
InChIKeyCNGONZDBIIVFQA-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.96
Rot. Bonds3

About 2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine

2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine (PubChem CID 144945299) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine
PubChem CID144945299
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine
SMILESCNc1ccc2c(c1)cc(-c1ccc(Cl)cc1)n2C1CCOC1
InChIInChI=1S/C19H19ClN2O/c1-21-16-6-7-18-14(10-16)11-19(13-2-4-15(20)5-3-13)22(18)17-8-9-23-12-17/h2-7,10-11,17,21H,8-9,12H2,1H3
InChIKeyCNGONZDBIIVFQA-UHFFFAOYSA-N
XLogP4.96
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine (CID 144945299) is 2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine is CNc1ccc2c(c1)cc(-c1ccc(Cl)cc1)n2C1CCOC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine?
The InChIKey is CNGONZDBIIVFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-21-16-6-7-18-14(10-16)11-19(13-2-4-15(20)5-3-13)22(18)17-8-9-23-12-17/h2-7,10-11,17,21H,8-9,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine?
2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine has a molecular weight of 326.83 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-1-(oxolan-3-yl)indol-5-amine is sourced from PubChem (CID 144945299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).