2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine

C14H20N2O2 — CID 82498789

IUPAC2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
SMILESCOc1cc(OC)c2c(C(C)CN)cn(C)c2c1
InChIInChI=1S/C14H20N2O2/c1-9(7-15)11-8-16(2)12-5-10(17-3)6-13(18-4)14(11)12/h5-6,8-9H,7,15H2,1-4H3
InChIKeyLFCAUIKZYGGQRK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.26
Rot. Bonds4

About 2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine

2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine (PubChem CID 82498789) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
PubChem CID82498789
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
SMILESCOc1cc(OC)c2c(C(C)CN)cn(C)c2c1
InChIInChI=1S/C14H20N2O2/c1-9(7-15)11-8-16(2)12-5-10(17-3)6-13(18-4)14(11)12/h5-6,8-9H,7,15H2,1-4H3
InChIKeyLFCAUIKZYGGQRK-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
CID 82495876
2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile
CID 82495076
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
2-(4,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
CID 96675836
2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine
CID 123329712
2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82501140
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
2-(1,4,7-trimethylindol-3-yl)propan-1-amine
CID 82493196

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine (CID 82498789) is 2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine is COc1cc(OC)c2c(C(C)CN)cn(C)c2c1.
What is the InChIKey of 2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine?
The InChIKey is LFCAUIKZYGGQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(7-15)11-8-16(2)12-5-10(17-3)6-13(18-4)14(11)12/h5-6,8-9H,7,15H2,1-4H3.
What are the key properties of 2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine?
2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82498789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).