3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine

C14H20N2O — CID 82495903

IUPAC3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine
SMILESCOc1ccc(C)c2c(CCCN)cn(C)c12
InChIInChI=1S/C14H20N2O/c1-10-6-7-12(17-3)14-13(10)11(5-4-8-15)9-16(14)2/h6-7,9H,4-5,8,15H2,1-3H3
InChIKeyJJZCPTSACKCPGZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.39
Rot. Bonds4

About 3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine

3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine (PubChem CID 82495903) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine
PubChem CID82495903
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine
SMILESCOc1ccc(C)c2c(CCCN)cn(C)c12
InChIInChI=1S/C14H20N2O/c1-10-6-7-12(17-3)14-13(10)11(5-4-8-15)9-16(14)2/h6-7,9H,4-5,8,15H2,1-3H3
InChIKeyJJZCPTSACKCPGZ-UHFFFAOYSA-N
XLogP2.39
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid
CID 82500843
1-(7-methoxy-1,4-dimethylindol-3-yl)propan-2-one
CID 82495456
3-(4-methoxy-1-methylindol-3-yl)propan-1-amine
CID 82278662
3-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]propan-1-ol
CID 83944932
3-(4,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948548
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
3-(1-ethyl-7-methoxyindol-3-yl)propan-1-amine
CID 117197959
1,4,7-trimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 82502267
1-(4-chloro-7-methoxy-1-methylindol-3-yl)-N-methylmethanamine
CID 83868411
2-(8-methoxy-5-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)ethanamine
CID 82500174
3-(7-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495855
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
CID 100984244

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine?
The IUPAC name of 3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine (CID 82495903) is 3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine is COc1ccc(C)c2c(CCCN)cn(C)c12.
What is the InChIKey of 3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine?
The InChIKey is JJZCPTSACKCPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-6-7-12(17-3)14-13(10)11(5-4-8-15)9-16(14)2/h6-7,9H,4-5,8,15H2,1-3H3.
What are the key properties of 3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine?
3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1,4-dimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82495903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).