1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine

C14H20N2O — CID 82495856

IUPAC1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine
SMILESCOc1cccc2c(CC(C)N)c(C)n(C)c12
InChIInChI=1S/C14H20N2O/c1-9(15)8-12-10(2)16(3)14-11(12)6-5-7-13(14)17-4/h5-7,9H,8,15H2,1-4H3
InChIKeyKHJVTFGNWIISMC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.39
Rot. Bonds3

About 1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine

1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine (PubChem CID 82495856) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine
PubChem CID82495856
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine
SMILESCOc1cccc2c(CC(C)N)c(C)n(C)c12
InChIInChI=1S/C14H20N2O/c1-9(15)8-12-10(2)16(3)14-11(12)6-5-7-13(14)17-4/h5-7,9H,8,15H2,1-4H3
InChIKeyKHJVTFGNWIISMC-UHFFFAOYSA-N
XLogP2.39
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

3-(7-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495855
1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine
CID 83910284
N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 96677257
(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
CID 130691963
3-(2-aminopropyl)-8-methoxy-1-methylquinolin-2-one
CID 84632285
1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine
CID 63815045
1-(2,3-dimethoxynaphthalen-1-yl)propan-2-amine
CID 170891238
1-(6-methoxy-2,3-dimethylphenyl)propan-2-amine
CID 117284120
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117296824
7-methoxy-1,3-dimethylindole-2-carbaldehyde
CID 82491728
4,8-dimethoxy-3-(2-methoxy-3-methylbut-3-enyl)-1-methylquinolin-2-one
CID 5319501

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine?
The IUPAC name of 1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine (CID 82495856) is 1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine is COc1cccc2c(CC(C)N)c(C)n(C)c12.
What is the InChIKey of 1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine?
The InChIKey is KHJVTFGNWIISMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(15)8-12-10(2)16(3)14-11(12)6-5-7-13(14)17-4/h5-7,9H,8,15H2,1-4H3.
What are the key properties of 1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine?
1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine is sourced from PubChem (CID 82495856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).