3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine

C21H26N2O — CID 83974234

IUPAC3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2c(C)n(C)c3ccccc23)c(C)c1
InChIInChI=1S/C21H26N2O/c1-14-11-17(24-4)9-10-18(14)16(13-22)12-20-15(2)23(3)21-8-6-5-7-19(20)21/h5-11,16H,12-13,22H2,1-4H3
InChIKeyOERIHSHBVLEGGM-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.09
Rot. Bonds5

About 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine

3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine (PubChem CID 83974234) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
PubChem CID83974234
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
SMILESCOc1ccc(C(CN)Cc2c(C)n(C)c3ccccc23)c(C)c1
InChIInChI=1S/C21H26N2O/c1-14-11-17(24-4)9-10-18(14)16(13-22)12-20-15(2)23(3)21-8-6-5-7-19(20)21/h5-11,16H,12-13,22H2,1-4H3
InChIKeyOERIHSHBVLEGGM-UHFFFAOYSA-N
XLogP4.09
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
3-(2,6-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974179
3-(1-ethyl-2-methylindol-3-yl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972544
2-(4-ethoxy-2-methylphenyl)-3-(1-methylindol-3-yl)propan-1-amine
CID 83974313
3-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]phenol
CID 83974181
3-(4-butoxyphenyl)-2-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83974227
4-amino-3-(4-methoxy-2-methylphenyl)butanoic acid
CID 82617488
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
CID 83974199
2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 83974204
4-(5-methoxy-1,2-dimethylindol-3-yl)butan-2-amine
CID 82498291
(4-methoxy-2-methylphenyl)-(1-methylindazol-3-yl)methanol
CID 103128610

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine (CID 83974234) is 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine is COc1ccc(C(CN)Cc2c(C)n(C)c3ccccc23)c(C)c1.
What is the InChIKey of 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine?
The InChIKey is OERIHSHBVLEGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-14-11-17(24-4)9-10-18(14)16(13-22)12-20-15(2)23(3)21-8-6-5-7-19(20)21/h5-11,16H,12-13,22H2,1-4H3.
What are the key properties of 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine?
3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine has a molecular weight of 322.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylindol-3-yl)-2-(4-methoxy-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 83974234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).