2-(indol-1-ylmethyl)benzene-1,3-diamine

C15H15N3 — CID 141087878

IUPAC2-(indol-1-ylmethyl)benzene-1,3-diamine
SMILESNc1cccc(N)c1Cn1ccc2ccccc21
InChIInChI=1S/C15H15N3/c16-13-5-3-6-14(17)12(13)10-18-9-8-11-4-1-2-7-15(11)18/h1-9H,10,16-17H2
InChIKeyYSNZEMIYGKKWEX-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.85
Rot. Bonds2

About 2-(indol-1-ylmethyl)benzene-1,3-diamine

2-(indol-1-ylmethyl)benzene-1,3-diamine (PubChem CID 141087878) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(indol-1-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-(indol-1-ylmethyl)benzene-1,3-diamine
PubChem CID141087878
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(indol-1-ylmethyl)benzene-1,3-diamine
SMILESNc1cccc(N)c1Cn1ccc2ccccc21
InChIInChI=1S/C15H15N3/c16-13-5-3-6-14(17)12(13)10-18-9-8-11-4-1-2-7-15(11)18/h1-9H,10,16-17H2
InChIKeyYSNZEMIYGKKWEX-UHFFFAOYSA-N
XLogP2.85
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(indol-1-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 2-(indol-1-ylmethyl)benzene-1,3-diamine (CID 141087878) is 2-(indol-1-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 2-(indol-1-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 2-(indol-1-ylmethyl)benzene-1,3-diamine is Nc1cccc(N)c1Cn1ccc2ccccc21.
What is the InChIKey of 2-(indol-1-ylmethyl)benzene-1,3-diamine?
The InChIKey is YSNZEMIYGKKWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-13-5-3-6-14(17)12(13)10-18-9-8-11-4-1-2-7-15(11)18/h1-9H,10,16-17H2.
What are the key properties of 2-(indol-1-ylmethyl)benzene-1,3-diamine?
2-(indol-1-ylmethyl)benzene-1,3-diamine has a molecular weight of 237.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(indol-1-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 141087878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).