N-(4-methoxyphenyl)-1-methylindol-5-amine

C16H16N2O — CID 82537007

IUPACN-(4-methoxyphenyl)-1-methylindol-5-amine
SMILESCOc1ccc(Nc2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C16H16N2O/c1-18-10-9-12-11-14(5-8-16(12)18)17-13-3-6-15(19-2)7-4-13/h3-11,17H,1-2H3
InChIKeyQBIXFAOPIPZOAE-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.93
Rot. Bonds3

About N-(4-methoxyphenyl)-1-methylindol-5-amine

N-(4-methoxyphenyl)-1-methylindol-5-amine (PubChem CID 82537007) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methylindol-5-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methylindol-5-amine
PubChem CID82537007
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(4-methoxyphenyl)-1-methylindol-5-amine
SMILESCOc1ccc(Nc2ccc3c(ccn3C)c2)cc1
InChIInChI=1S/C16H16N2O/c1-18-10-9-12-11-14(5-8-16(12)18)17-13-3-6-15(19-2)7-4-13/h3-11,17H,1-2H3
InChIKeyQBIXFAOPIPZOAE-UHFFFAOYSA-N
XLogP3.93
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methylindol-5-amine?
The IUPAC name of N-(4-methoxyphenyl)-1-methylindol-5-amine (CID 82537007) is N-(4-methoxyphenyl)-1-methylindol-5-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methylindol-5-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1-methylindol-5-amine is COc1ccc(Nc2ccc3c(ccn3C)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methylindol-5-amine?
The InChIKey is QBIXFAOPIPZOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18-10-9-12-11-14(5-8-16(12)18)17-13-3-6-15(19-2)7-4-13/h3-11,17H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-1-methylindol-5-amine?
N-(4-methoxyphenyl)-1-methylindol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methylindol-5-amine is sourced from PubChem (CID 82537007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).