2-(3-methylphenyl)-3H-indol-5-amine

C15H14N2 — CID 161064268

IUPAC2-(3-methylphenyl)-3H-indol-5-amine
SMILESCc1cccc(C2=Nc3ccc(N)cc3C2)c1
InChIInChI=1S/C15H14N2/c1-10-3-2-4-11(7-10)15-9-12-8-13(16)5-6-14(12)17-15/h2-8H,9,16H2,1H3
InChIKeyKZRIKNBBUQIEFB-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.25
Rot. Bonds1

About 2-(3-methylphenyl)-3H-indol-5-amine

2-(3-methylphenyl)-3H-indol-5-amine (PubChem CID 161064268) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3H-indol-5-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-3H-indol-5-amine
PubChem CID161064268
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(3-methylphenyl)-3H-indol-5-amine
SMILESCc1cccc(C2=Nc3ccc(N)cc3C2)c1
InChIInChI=1S/C15H14N2/c1-10-3-2-4-11(7-10)15-9-12-8-13(16)5-6-14(12)17-15/h2-8H,9,16H2,1H3
InChIKeyKZRIKNBBUQIEFB-UHFFFAOYSA-N
XLogP3.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole
CID 166805679
2-(5-amino-3H-indol-2-yl)phenol
CID 159684413
5-chloro-2-phenyl-3H-indole
CID 12835738
3-methylaniline
CID 7934
3-methylaniline chloride
CID 23334103
ethane;methane;1,3-xylene
CID 145463381
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
4-(4-aminophenyl)-2,3,5,6-tetrakis(3-methylphenyl)aniline
CID 87615494
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole
CID 174135571

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3H-indol-5-amine?
The IUPAC name of 2-(3-methylphenyl)-3H-indol-5-amine (CID 161064268) is 2-(3-methylphenyl)-3H-indol-5-amine.
What is the SMILES notation for 2-(3-methylphenyl)-3H-indol-5-amine?
The canonical SMILES for 2-(3-methylphenyl)-3H-indol-5-amine is Cc1cccc(C2=Nc3ccc(N)cc3C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3H-indol-5-amine?
The InChIKey is KZRIKNBBUQIEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-10-3-2-4-11(7-10)15-9-12-8-13(16)5-6-14(12)17-15/h2-8H,9,16H2,1H3.
What are the key properties of 2-(3-methylphenyl)-3H-indol-5-amine?
2-(3-methylphenyl)-3H-indol-5-amine has a molecular weight of 222.29 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3H-indol-5-amine is sourced from PubChem (CID 161064268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).