2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine

C20H24N2 — CID 83976752

IUPAC2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)c2c(C)n(C)c3ccccc23)c1
InChIInChI=1S/C20H24N2/c1-14-7-6-8-16(11-14)12-17(13-21)20-15(2)22(3)19-10-5-4-9-18(19)20/h4-11,17H,12-13,21H2,1-3H3
InChIKeyGMIGCODLRWLDNF-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.08
Rot. Bonds4

About 2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine

2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 83976752) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
PubChem CID83976752
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(CC(CN)c2c(C)n(C)c3ccccc23)c1
InChIInChI=1S/C20H24N2/c1-14-7-6-8-16(11-14)12-17(13-21)20-15(2)22(3)19-10-5-4-9-18(19)20/h4-11,17H,12-13,21H2,1-3H3
InChIKeyGMIGCODLRWLDNF-UHFFFAOYSA-N
XLogP4.08
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine
CID 83976755
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539160
2-(1-ethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976905
3-(2-chloro-6-fluorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 83976734
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
3-(3-methylphenyl)-2-pyridin-2-ylpropan-1-amine
CID 82080996
2-[3-(1,2-dimethylindol-3-yl)phenyl]ethanamine
CID 82039944
(2R)-2-methyl-3-(3-methylphenyl)propan-1-amine
CID 42325732
2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine
CID 83976727
2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
CID 82493660

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine (CID 83976752) is 2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine is Cc1cccc(CC(CN)c2c(C)n(C)c3ccccc23)c1.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is GMIGCODLRWLDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-14-7-6-8-16(11-14)12-17(13-21)20-15(2)22(3)19-10-5-4-9-18(19)20/h4-11,17H,12-13,21H2,1-3H3.
What are the key properties of 2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine?
2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 83976752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).