4-(1H-indol-2-yl)-3-methylaniline

C15H14N2 — CID 141440028

IUPAC4-(1H-indol-2-yl)-3-methylaniline
SMILESCc1cc(N)ccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C15H14N2/c1-10-8-12(16)6-7-13(10)15-9-11-4-2-3-5-14(11)17-15/h2-9,17H,16H2,1H3
InChIKeyIYLITBOZYKIRKY-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.73
Rot. Bonds1

About 4-(1H-indol-2-yl)-3-methylaniline

4-(1H-indol-2-yl)-3-methylaniline (PubChem CID 141440028) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-3-methylaniline.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-3-methylaniline
PubChem CID141440028
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-(1H-indol-2-yl)-3-methylaniline
SMILESCc1cc(N)ccc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C15H14N2/c1-10-8-12(16)6-7-13(10)15-9-11-4-2-3-5-14(11)17-15/h2-9,17H,16H2,1H3
InChIKeyIYLITBOZYKIRKY-UHFFFAOYSA-N
XLogP3.73
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1H-indol-2-yl)-3-methylphenyl]-1H-indole
CID 68641137
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
ethane;2-[2-fluoro-5-(1H-indol-2-yl)-4-methylphenyl]ethanamine
CID 171644604
2-(2-iodophenyl)-1H-indole
CID 12996175
4-(2-bromophenyl)-3-methylaniline
CID 115503554
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
[2-(1H-indol-2-yl)phenyl]methanamine
CID 142707803
2-amino-3-(1H-indol-2-yl)benzoic acid
CID 150652093
5-tert-butyl-2-(2-methylphenyl)-1H-indole
CID 131887127
5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole
CID 132521621
N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide
CID 3687205
5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118034586

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-3-methylaniline?
The IUPAC name of 4-(1H-indol-2-yl)-3-methylaniline (CID 141440028) is 4-(1H-indol-2-yl)-3-methylaniline.
What is the SMILES notation for 4-(1H-indol-2-yl)-3-methylaniline?
The canonical SMILES for 4-(1H-indol-2-yl)-3-methylaniline is Cc1cc(N)ccc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-indol-2-yl)-3-methylaniline?
The InChIKey is IYLITBOZYKIRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-10-8-12(16)6-7-13(10)15-9-11-4-2-3-5-14(11)17-15/h2-9,17H,16H2,1H3.
What are the key properties of 4-(1H-indol-2-yl)-3-methylaniline?
4-(1H-indol-2-yl)-3-methylaniline has a molecular weight of 222.29 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-3-methylaniline is sourced from PubChem (CID 141440028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).