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

C13H18N2O — CID 82493647

IUPAC2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine
SMILESCOc1cc(C)cc2c(C(C)CN)c[nH]c12
InChIInChI=1S/C13H18N2O/c1-8-4-10-11(9(2)6-14)7-15-13(10)12(5-8)16-3/h4-5,7,9,15H,6,14H2,1-3H3
InChIKeyUXKFEPUGMZERSJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.55
Rot. Bonds3

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

2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine (PubChem CID 82493647) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine
PubChem CID82493647
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine
SMILESCOc1cc(C)cc2c(C(C)CN)c[nH]c12
InChIInChI=1S/C13H18N2O/c1-8-4-10-11(9(2)6-14)7-15-13(10)12(5-8)16-3/h4-5,7,9,15H,6,14H2,1-3H3
InChIKeyUXKFEPUGMZERSJ-UHFFFAOYSA-N
XLogP2.55
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxy-5-methyl-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82498302
2-(5-methoxy-7-methyl-1H-indol-3-yl)propan-1-amine
CID 82493655
2-(7-methoxy-5-methyl-2-propan-2-yl-1H-indol-3-yl)ethanamine
CID 84741796
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
[1-(7-methoxy-5-methyl-1H-indol-3-yl)cyclohexyl]methanamine
CID 96679652
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
5,7-dimethyl-3-pentan-2-yl-1H-indole
CID 106985627
4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
CID 82495434
2-(7-bromo-1H-indol-3-yl)propan-1-amine
CID 76846624
(E)-3-(7-methoxy-5-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82495371
2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine
CID 96618492
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine (CID 82493647) is 2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine is COc1cc(C)cc2c(C(C)CN)c[nH]c12.
What is the InChIKey of 2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is UXKFEPUGMZERSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-4-10-11(9(2)6-14)7-15-13(10)12(5-8)16-3/h4-5,7,9,15H,6,14H2,1-3H3.
What are the key properties of 2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine?
2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-5-methyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 82493647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).