3-methoxy-2-(1-methylindol-3-yl)propan-1-amine

C13H18N2O — CID 116835610

IUPAC3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
SMILESCOCC(CN)c1cn(C)c2ccccc12
InChIInChI=1S/C13H18N2O/c1-15-8-12(10(7-14)9-16-2)11-5-3-4-6-13(11)15/h3-6,8,10H,7,9,14H2,1-2H3
InChIKeyNEOXRVUALGJIKH-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.87
Rot. Bonds4

About 3-methoxy-2-(1-methylindol-3-yl)propan-1-amine

3-methoxy-2-(1-methylindol-3-yl)propan-1-amine (PubChem CID 116835610) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methoxy-2-(1-methylindol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
PubChem CID116835610
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
SMILESCOCC(CN)c1cn(C)c2ccccc12
InChIInChI=1S/C13H18N2O/c1-15-8-12(10(7-14)9-16-2)11-5-3-4-6-13(11)15/h3-6,8,10H,7,9,14H2,1-2H3
InChIKeyNEOXRVUALGJIKH-UHFFFAOYSA-N
XLogP1.87
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
3-(furan-2-yl)-2-(1-methylindol-3-yl)propan-1-amine
CID 82021282
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
1-methyl-3-propan-2-ylindole
CID 10942942
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418
2-cyclopentyl-2-(1-methylindol-3-yl)ethanamine
CID 10633946
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
3-methoxy-2-phenylpropan-1-amine
CID 66968828
3-(methoxymethyl)-1-methylindole
CID 18711466

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(1-methylindol-3-yl)propan-1-amine?
The IUPAC name of 3-methoxy-2-(1-methylindol-3-yl)propan-1-amine (CID 116835610) is 3-methoxy-2-(1-methylindol-3-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-(1-methylindol-3-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-(1-methylindol-3-yl)propan-1-amine is COCC(CN)c1cn(C)c2ccccc12.
What is the InChIKey of 3-methoxy-2-(1-methylindol-3-yl)propan-1-amine?
The InChIKey is NEOXRVUALGJIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-8-12(10(7-14)9-16-2)11-5-3-4-6-13(11)15/h3-6,8,10H,7,9,14H2,1-2H3.
What are the key properties of 3-methoxy-2-(1-methylindol-3-yl)propan-1-amine?
3-methoxy-2-(1-methylindol-3-yl)propan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1-methylindol-3-yl)propan-1-amine is sourced from PubChem (CID 116835610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).