methoxy-(1-methylindol-3-yl)methanamine

C11H14N2O — CID 116947283

IUPACmethoxy-(1-methylindol-3-yl)methanamine
SMILESCOC(N)c1cn(C)c2ccccc12
InChIInChI=1S/C11H14N2O/c1-13-7-9(11(12)14-2)8-5-3-4-6-10(8)13/h3-7,11H,12H2,1-2H3
InChIKeySCBPCKKTVXREQU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.78
Rot. Bonds2

About methoxy-(1-methylindol-3-yl)methanamine

methoxy-(1-methylindol-3-yl)methanamine (PubChem CID 116947283) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is methoxy-(1-methylindol-3-yl)methanamine.

Molecular Properties

Compound Namemethoxy-(1-methylindol-3-yl)methanamine
PubChem CID116947283
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Namemethoxy-(1-methylindol-3-yl)methanamine
SMILESCOC(N)c1cn(C)c2ccccc12
InChIInChI=1S/C11H14N2O/c1-13-7-9(11(12)14-2)8-5-3-4-6-10(8)13/h3-7,11H,12H2,1-2H3
InChIKeySCBPCKKTVXREQU-UHFFFAOYSA-N
XLogP1.78
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-propan-2-ylindole
CID 10942942
2-methoxy-2-(1-methylindol-3-yl)acetaldehyde
CID 112709875
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
CID 116835610
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472
1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine
CID 116947044
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171312426

Frequently Asked Questions

What is the IUPAC name of methoxy-(1-methylindol-3-yl)methanamine?
The IUPAC name of methoxy-(1-methylindol-3-yl)methanamine (CID 116947283) is methoxy-(1-methylindol-3-yl)methanamine.
What is the SMILES notation for methoxy-(1-methylindol-3-yl)methanamine?
The canonical SMILES for methoxy-(1-methylindol-3-yl)methanamine is COC(N)c1cn(C)c2ccccc12.
What is the InChIKey of methoxy-(1-methylindol-3-yl)methanamine?
The InChIKey is SCBPCKKTVXREQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-7-9(11(12)14-2)8-5-3-4-6-10(8)13/h3-7,11H,12H2,1-2H3.
What are the key properties of methoxy-(1-methylindol-3-yl)methanamine?
methoxy-(1-methylindol-3-yl)methanamine has a molecular weight of 190.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(1-methylindol-3-yl)methanamine is sourced from PubChem (CID 116947283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).