1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine

C14H20N2O — CID 82495879

IUPAC1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
SMILESCOc1cc(C)c2[nH]c(C)c(CC(C)N)c2c1
InChIInChI=1S/C14H20N2O/c1-8-5-11(17-4)7-13-12(6-9(2)15)10(3)16-14(8)13/h5,7,9,16H,6,15H2,1-4H3
InChIKeyDLKNDMUPTJPQGU-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.68
Rot. Bonds3

About 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine

1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine (PubChem CID 82495879) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
PubChem CID82495879
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine
SMILESCOc1cc(C)c2[nH]c(C)c(CC(C)N)c2c1
InChIInChI=1S/C14H20N2O/c1-8-5-11(17-4)7-13-12(6-9(2)15)10(3)16-14(8)13/h5,7,9,16H,6,15H2,1-4H3
InChIKeyDLKNDMUPTJPQGU-UHFFFAOYSA-N
XLogP2.68
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82493658
3-ethyl-6-methoxy-2,8-dimethyl-1H-quinolin-4-one
CID 62873195
3-(2-aminoethyl)-6-methoxy-4,8-dimethyl-1H-quinolin-2-one
CID 84632299
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491
2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
CID 82493655
6-methoxy-8-methyl-2-propyl-1H-quinolin-4-one
CID 62872824
3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid
CID 84638582
5-methoxy-3,7-dimethyl-1H-indole
CID 82490544
1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
2-ethyl-6-methoxy-8-methyl-1H-quinolin-4-one
CID 62873006
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)propan-2-amine
CID 117361507
1-(6,8-dimethoxy-4-methylquinolin-2-yl)propan-2-amine
CID 82577528

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine (CID 82495879) is 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine is COc1cc(C)c2[nH]c(C)c(CC(C)N)c2c1.
What is the InChIKey of 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine?
The InChIKey is DLKNDMUPTJPQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-8-5-11(17-4)7-13-12(6-9(2)15)10(3)16-14(8)13/h5,7,9,16H,6,15H2,1-4H3.
What are the key properties of 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine?
1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,7-dimethyl-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 82495879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).