2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine

C15H22N2O2 — CID 82501140

IUPAC2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
SMILESCOc1cc(OC)c2c(c1)c(C(C)CN)c(C)n2C
InChIInChI=1S/C15H22N2O2/c1-9(8-16)14-10(2)17(3)15-12(14)6-11(18-4)7-13(15)19-5/h6-7,9H,8,16H2,1-5H3
InChIKeyKCLXEKNHGXJDHW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.57
Rot. Bonds4

About 2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine

2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine (PubChem CID 82501140) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
PubChem CID82501140
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine
SMILESCOc1cc(OC)c2c(c1)c(C(C)CN)c(C)n2C
InChIInChI=1S/C15H22N2O2/c1-9(8-16)14-10(2)17(3)15-12(14)6-11(18-4)7-13(15)19-5/h6-7,9H,8,16H2,1-5H3
InChIKeyKCLXEKNHGXJDHW-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol
CID 82498764
2-(5,7-dimethoxy-2,3-dimethylindol-1-yl)ethanamine
CID 82498803
1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
CID 82500836
2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
CID 82495876
2-(7-chloro-1,2-dimethylindol-3-yl)propan-1-amine
CID 82496910
2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
CID 82498789
2-(7-ethyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495320
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
methyl 5,7-dimethoxy-1,3-dimethylindole-2-carboxylate
CID 15395202
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
2-(2,6-difluoro-3,5-dimethoxyphenyl)propan-1-amine
CID 117333864

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine?
The IUPAC name of 2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine (CID 82501140) is 2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine?
The canonical SMILES for 2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine is COc1cc(OC)c2c(c1)c(C(C)CN)c(C)n2C.
What is the InChIKey of 2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine?
The InChIKey is KCLXEKNHGXJDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(8-16)14-10(2)17(3)15-12(14)6-11(18-4)7-13(15)19-5/h6-7,9H,8,16H2,1-5H3.
What are the key properties of 2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine?
2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-1-amine is sourced from PubChem (CID 82501140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).