2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine

C17H18N2O2 — CID 117183684

IUPAC2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine
SMILESCOc1cccc(OCc2cc3cccc(N)c3n2C)c1
InChIInChI=1S/C17H18N2O2/c1-19-13(9-12-5-3-8-16(18)17(12)19)11-21-15-7-4-6-14(10-15)20-2/h3-10H,11,18H2,1-2H3
InChIKeyBZPMZHODSKXBJN-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.35
Rot. Bonds4

About 2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine

2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine (PubChem CID 117183684) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine
PubChem CID117183684
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine
SMILESCOc1cccc(OCc2cc3cccc(N)c3n2C)c1
InChIInChI=1S/C17H18N2O2/c1-19-13(9-12-5-3-8-16(18)17(12)19)11-21-15-7-4-6-14(10-15)20-2/h3-10H,11,18H2,1-2H3
InChIKeyBZPMZHODSKXBJN-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
CID 117183688
1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
CID 117186591
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
7-fluoro-1-methyl-2-(pyridin-3-yloxymethyl)indole
CID 117183745
2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole
CID 117186521
1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
CID 117193067
3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117181993
CID 172849383
CID 172849383
2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203
2-[(3-chlorophenoxy)methyl]-1-methylindol-5-amine
CID 117176763
1-ethyl-5-[(3-methoxyphenoxy)methyl]pyrazol-4-amine
CID 117217960
2-chloro-4-[(3-methoxyphenoxy)methyl]aniline
CID 117220355

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine (CID 117183684) is 2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine is COc1cccc(OCc2cc3cccc(N)c3n2C)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine?
The InChIKey is BZPMZHODSKXBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-13(9-12-5-3-8-16(18)17(12)19)11-21-15-7-4-6-14(10-15)20-2/h3-10H,11,18H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine?
2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine has a molecular weight of 282.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine is sourced from PubChem (CID 117183684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).