2-(5-methoxy-1-methylindol-6-yl)propan-2-amine

C13H18N2O — CID 96609929

IUPAC2-(5-methoxy-1-methylindol-6-yl)propan-2-amine
SMILESCOc1cc2ccn(C)c2cc1C(C)(C)N
InChIInChI=1S/C13H18N2O/c1-13(2,14)10-8-11-9(5-6-15(11)3)7-12(10)16-4/h5-8H,14H2,1-4H3
InChIKeyJUYVXBDBJWOOPO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds2

About 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine

2-(5-methoxy-1-methylindol-6-yl)propan-2-amine (PubChem CID 96609929) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindol-6-yl)propan-2-amine
PubChem CID96609929
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(5-methoxy-1-methylindol-6-yl)propan-2-amine
SMILESCOc1cc2ccn(C)c2cc1C(C)(C)N
InChIInChI=1S/C13H18N2O/c1-13(2,14)10-8-11-9(5-6-15(11)3)7-12(10)16-4/h5-8H,14H2,1-4H3
InChIKeyJUYVXBDBJWOOPO-UHFFFAOYSA-N
XLogP2.38
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;6-fluoro-5-methoxy-1-methylindole
CID 144622311
2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 15102791
1,7-dimethylpyrrolo[3,2-f]indole
CID 170295030
[(6-methoxy-1-methylindol-5-yl)amino]urea
CID 131842642
5-methoxy-1-methylindole
CID 819864
4-amino-4-(5-methoxy-1-methylindol-6-yl)butanoic acid
CID 117410418
[3-(5-methoxy-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117399233
5,6,7-trimethoxy-1-methylindole
CID 141308126
2-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-2-amine
CID 117339402
2-[1-(5-methoxy-1-methylindol-6-yl)cyclopropyl]acetic acid
CID 117401757
tert-butyl formate;1-methylindol-5-amine
CID 174939180
2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117319995

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine?
The IUPAC name of 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine (CID 96609929) is 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine.
What is the SMILES notation for 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine?
The canonical SMILES for 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine is COc1cc2ccn(C)c2cc1C(C)(C)N.
What is the InChIKey of 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine?
The InChIKey is JUYVXBDBJWOOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,14)10-8-11-9(5-6-15(11)3)7-12(10)16-4/h5-8H,14H2,1-4H3.
What are the key properties of 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine?
2-(5-methoxy-1-methylindol-6-yl)propan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylindol-6-yl)propan-2-amine is sourced from PubChem (CID 96609929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).