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

C18H20N2 — CID 82039944

IUPAC2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine
SMILESCc1c(-c2cccc(CCN)c2)c2ccccc2n1C
InChIInChI=1S/C18H20N2/c1-13-18(15-7-5-6-14(12-15)10-11-19)16-8-3-4-9-17(16)20(13)2/h3-9,12H,10-11,19H2,1-2H3
InChIKeyQTALQCVUACTXMB-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.65
Rot. Bonds3

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

2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine (PubChem CID 82039944) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine
PubChem CID82039944
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine
SMILESCc1c(-c2cccc(CCN)c2)c2ccccc2n1C
InChIInChI=1S/C18H20N2/c1-13-18(15-7-5-6-14(12-15)10-11-19)16-8-3-4-9-17(16)20(13)2/h3-9,12H,10-11,19H2,1-2H3
InChIKeyQTALQCVUACTXMB-UHFFFAOYSA-N
XLogP3.65
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1-methylindol-3-yl)phenyl]ethanamine
CID 82039841
2-[3-(1,2-dimethylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82482608
2-[3-(4-methylphenyl)phenyl]ethanamine
CID 66523842
2-[2-(1,2-dimethylindol-3-yl)-1,3-oxazol-4-yl]ethanamine
CID 82482255
2-(1,2,3-trimethylindol-6-yl)ethanamine
CID 82397040
2-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 63794610
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976752
[3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine
CID 82477320
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
2-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)phenyl]ethanamine
CID 114793319
1-benzyl-3,4-bis(1,2-dimethylindol-3-yl)pyrrole-2,5-dione
CID 101396833

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine (CID 82039944) is 2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine is Cc1c(-c2cccc(CCN)c2)c2ccccc2n1C.
What is the InChIKey of 2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine?
The InChIKey is QTALQCVUACTXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-18(15-7-5-6-14(12-15)10-11-19)16-8-3-4-9-17(16)20(13)2/h3-9,12H,10-11,19H2,1-2H3.
What are the key properties of 2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine?
2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 82039944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).