[3-(2-methyl-1H-indol-5-yl)phenyl]methanamine

C16H16N2 — CID 116996249

IUPAC[3-(2-methyl-1H-indol-5-yl)phenyl]methanamine
SMILESCc1cc2cc(-c3cccc(CN)c3)ccc2[nH]1
InChIInChI=1S/C16H16N2/c1-11-7-15-9-14(5-6-16(15)18-11)13-4-2-3-12(8-13)10-17/h2-9,18H,10,17H2,1H3
InChIKeyCPIQYFIBZCGSNF-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.60
Rot. Bonds2

About [3-(2-methyl-1H-indol-5-yl)phenyl]methanamine

[3-(2-methyl-1H-indol-5-yl)phenyl]methanamine (PubChem CID 116996249) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is [3-(2-methyl-1H-indol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-methyl-1H-indol-5-yl)phenyl]methanamine
PubChem CID116996249
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name[3-(2-methyl-1H-indol-5-yl)phenyl]methanamine
SMILESCc1cc2cc(-c3cccc(CN)c3)ccc2[nH]1
InChIInChI=1S/C16H16N2/c1-11-7-15-9-14(5-6-16(15)18-11)13-4-2-3-12(8-13)10-17/h2-9,18H,10,17H2,1H3
InChIKeyCPIQYFIBZCGSNF-UHFFFAOYSA-N
XLogP3.60
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-[3-(phenylsulfanylmethyl)phenyl]-1H-indole
CID 144724624
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
[3-(2-methylquinolin-6-yl)phenyl]methanamine
CID 81224971
[3-(1,2-dimethylindol-5-yl)phenyl]methanamine
CID 116996413
5-[3-(cyclopentyloxymethyl)phenyl]-2-methyl-1H-indole;pyrrolidin-3-ol
CID 144724522
[3-(5-methylthiophen-3-yl)phenyl]methanamine
CID 65100908
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
3-[4-(aminomethyl)phenyl]-N-(2-methyl-1H-indol-5-yl)-2-[(4-phenylphenyl)carbamoylamino]propanamide
CID 69109847
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
5-phenyl-1H-indol-2-amine
CID 154370356
[3-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methanamine
CID 103386831
[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine
CID 116993973

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1H-indol-5-yl)phenyl]methanamine?
The IUPAC name of [3-(2-methyl-1H-indol-5-yl)phenyl]methanamine (CID 116996249) is [3-(2-methyl-1H-indol-5-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-methyl-1H-indol-5-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-methyl-1H-indol-5-yl)phenyl]methanamine is Cc1cc2cc(-c3cccc(CN)c3)ccc2[nH]1.
What is the InChIKey of [3-(2-methyl-1H-indol-5-yl)phenyl]methanamine?
The InChIKey is CPIQYFIBZCGSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-7-15-9-14(5-6-16(15)18-11)13-4-2-3-12(8-13)10-17/h2-9,18H,10,17H2,1H3.
What are the key properties of [3-(2-methyl-1H-indol-5-yl)phenyl]methanamine?
[3-(2-methyl-1H-indol-5-yl)phenyl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1H-indol-5-yl)phenyl]methanamine is sourced from PubChem (CID 116996249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).