N-[(1-methylindol-2-yl)methyl]aniline

C16H16N2 — CID 42776886

IUPACN-[(1-methylindol-2-yl)methyl]aniline
SMILESCn1c(CNc2ccccc2)cc2ccccc21
InChIInChI=1S/C16H16N2/c1-18-15(11-13-7-5-6-10-16(13)18)12-17-14-8-3-2-4-9-14/h2-11,17H,12H2,1H3
InChIKeyHTRZQOWAQJHGBR-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.79
Rot. Bonds3

About N-[(1-methylindol-2-yl)methyl]aniline

N-[(1-methylindol-2-yl)methyl]aniline (PubChem CID 42776886) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(1-methylindol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(1-methylindol-2-yl)methyl]aniline
PubChem CID42776886
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC NameN-[(1-methylindol-2-yl)methyl]aniline
SMILESCn1c(CNc2ccccc2)cc2ccccc21
InChIInChI=1S/C16H16N2/c1-18-15(11-13-7-5-6-10-16(13)18)12-17-14-8-3-2-4-9-14/h2-11,17H,12H2,1H3
InChIKeyHTRZQOWAQJHGBR-UHFFFAOYSA-N
XLogP3.79
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-2-yl)methyl]aniline?
The IUPAC name of N-[(1-methylindol-2-yl)methyl]aniline (CID 42776886) is N-[(1-methylindol-2-yl)methyl]aniline.
What is the SMILES notation for N-[(1-methylindol-2-yl)methyl]aniline?
The canonical SMILES for N-[(1-methylindol-2-yl)methyl]aniline is Cn1c(CNc2ccccc2)cc2ccccc21.
What is the InChIKey of N-[(1-methylindol-2-yl)methyl]aniline?
The InChIKey is HTRZQOWAQJHGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-18-15(11-13-7-5-6-10-16(13)18)12-17-14-8-3-2-4-9-14/h2-11,17H,12H2,1H3.
What are the key properties of N-[(1-methylindol-2-yl)methyl]aniline?
N-[(1-methylindol-2-yl)methyl]aniline has a molecular weight of 236.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-2-yl)methyl]aniline is sourced from PubChem (CID 42776886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).