N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine

C16H16N2O — CID 110455031

IUPACN-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine
SMILESCOc1ccc(N(C)c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C16H16N2O/c1-18(13-3-6-15(19-2)7-4-13)14-5-8-16-12(11-14)9-10-17-16/h3-11,17H,1-2H3
InChIKeyHKONEDALPNYYFL-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.94
Rot. Bonds3

About N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine

N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine (PubChem CID 110455031) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine
PubChem CID110455031
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine
SMILESCOc1ccc(N(C)c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C16H16N2O/c1-18(13-3-6-15(19-2)7-4-13)14-5-8-16-12(11-14)9-10-17-16/h3-11,17H,1-2H3
InChIKeyHKONEDALPNYYFL-UHFFFAOYSA-N
XLogP3.94
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine (CID 110455031) is N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine is COc1ccc(N(C)c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine?
The InChIKey is HKONEDALPNYYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18(13-3-6-15(19-2)7-4-13)14-5-8-16-12(11-14)9-10-17-16/h3-11,17H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine?
N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-1H-indol-5-amine is sourced from PubChem (CID 110455031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).