[3-(1,2-dimethylindol-5-yl)phenyl]methanamine

C17H18N2 — CID 116996413

IUPAC[3-(1,2-dimethylindol-5-yl)phenyl]methanamine
SMILESCc1cc2cc(-c3cccc(CN)c3)ccc2n1C
InChIInChI=1S/C17H18N2/c1-12-8-16-10-15(6-7-17(16)19(12)2)14-5-3-4-13(9-14)11-18/h3-10H,11,18H2,1-2H3
InChIKeyGETKJXSMESGFQZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.61
Rot. Bonds2

About [3-(1,2-dimethylindol-5-yl)phenyl]methanamine

[3-(1,2-dimethylindol-5-yl)phenyl]methanamine (PubChem CID 116996413) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [3-(1,2-dimethylindol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1,2-dimethylindol-5-yl)phenyl]methanamine
PubChem CID116996413
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name[3-(1,2-dimethylindol-5-yl)phenyl]methanamine
SMILESCc1cc2cc(-c3cccc(CN)c3)ccc2n1C
InChIInChI=1S/C17H18N2/c1-12-8-16-10-15(6-7-17(16)19(12)2)14-5-3-4-13(9-14)11-18/h3-10H,11,18H2,1-2H3
InChIKeyGETKJXSMESGFQZ-UHFFFAOYSA-N
XLogP3.61
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2-dimethylindol-5-yl)aniline
CID 116996409
4-(1,2-dimethylindol-5-yl)aniline
CID 116996411
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
[3-(2-methyl-1H-indol-5-yl)phenyl]methanamine
CID 116996249
[3-(2-methylquinolin-6-yl)phenyl]methanamine
CID 81224971
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599
1,2-dimethylindol-5-amine
CID 6484710
[3-(2,3,5,6-tetramethylphenyl)phenyl]methanamine
CID 61034140
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
[3-[6-[3-(aminomethyl)phenyl]-9H-fluoren-3-yl]phenyl]methanamine
CID 158799416
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121

Frequently Asked Questions

What is the IUPAC name of [3-(1,2-dimethylindol-5-yl)phenyl]methanamine?
The IUPAC name of [3-(1,2-dimethylindol-5-yl)phenyl]methanamine (CID 116996413) is [3-(1,2-dimethylindol-5-yl)phenyl]methanamine.
What is the SMILES notation for [3-(1,2-dimethylindol-5-yl)phenyl]methanamine?
The canonical SMILES for [3-(1,2-dimethylindol-5-yl)phenyl]methanamine is Cc1cc2cc(-c3cccc(CN)c3)ccc2n1C.
What is the InChIKey of [3-(1,2-dimethylindol-5-yl)phenyl]methanamine?
The InChIKey is GETKJXSMESGFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12-8-16-10-15(6-7-17(16)19(12)2)14-5-3-4-13(9-14)11-18/h3-10H,11,18H2,1-2H3.
What are the key properties of [3-(1,2-dimethylindol-5-yl)phenyl]methanamine?
[3-(1,2-dimethylindol-5-yl)phenyl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2-dimethylindol-5-yl)phenyl]methanamine is sourced from PubChem (CID 116996413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).