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

C22H28N2O — CID 83976755

IUPAC2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(CC(CN)c2c(C)n(C)c3ccccc23)c1
InChIInChI=1S/C22H28N2O/c1-4-12-25-19-9-7-8-17(14-19)13-18(15-23)22-16(2)24(3)21-11-6-5-10-20(21)22/h5-11,14,18H,4,12-13,15,23H2,1-3H3
InChIKeyQCCVDBCXSYFXIQ-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.56
Rot. Bonds7

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

2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine (PubChem CID 83976755) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine
PubChem CID83976755
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(CC(CN)c2c(C)n(C)c3ccccc23)c1
InChIInChI=1S/C22H28N2O/c1-4-12-25-19-9-7-8-17(14-19)13-18(15-23)22-16(2)24(3)21-11-6-5-10-20(21)22/h5-11,14,18H,4,12-13,15,23H2,1-3H3
InChIKeyQCCVDBCXSYFXIQ-UHFFFAOYSA-N
XLogP4.56
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylphenyl)propan-1-amine
CID 83976752
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
2-(2-bromophenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 112539075
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539160
3-(3-butoxyphenyl)-2-thiophen-2-ylpropan-1-amine
CID 83975965
3-(3-butoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974462
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
3-(3-butoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975609
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine (CID 83976755) is 2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine is CCCOc1cccc(CC(CN)c2c(C)n(C)c3ccccc23)c1.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine?
The InChIKey is QCCVDBCXSYFXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-4-12-25-19-9-7-8-17(14-19)13-18(15-23)22-16(2)24(3)21-11-6-5-10-20(21)22/h5-11,14,18H,4,12-13,15,23H2,1-3H3.
What are the key properties of 2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine?
2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine has a molecular weight of 336.48 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-3-(3-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83976755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).