3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine

C17H18N2O2 — CID 117181993

IUPAC3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine
SMILESCOc1ccc(OCc2cn(C)c3c(N)cccc23)cc1
InChIInChI=1S/C17H18N2O2/c1-19-10-12(15-4-3-5-16(18)17(15)19)11-21-14-8-6-13(20-2)7-9-14/h3-10H,11,18H2,1-2H3
InChIKeyMMYNTOZRBAZKFE-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.35
Rot. Bonds4

About 3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine

3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine (PubChem CID 117181993) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine
PubChem CID117181993
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine
SMILESCOc1ccc(OCc2cn(C)c3c(N)cccc23)cc1
InChIInChI=1S/C17H18N2O2/c1-19-10-12(15-4-3-5-16(18)17(15)19)11-21-14-8-6-13(20-2)7-9-14/h3-10H,11,18H2,1-2H3
InChIKeyMMYNTOZRBAZKFE-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

3-[(2-fluorophenoxy)methyl]-1-methylindol-7-amine
CID 117181881
[3-[(3-methoxyphenoxy)methyl]-1-methylindol-7-yl]methanamine
CID 117181707
3-[(4-methoxyphenoxy)methyl]-7-methyl-1-propan-2-ylindole
CID 117186325
1,3-dimethylindol-7-amine
CID 83815699
3-[(4-methoxyphenoxy)methyl]-1H-indol-4-amine
CID 117171412
1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
CID 117181915
1,7-dimethyl-3-(pyridin-3-yloxymethyl)indole
CID 117186248
2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117183684
1-propan-2-yl-3-(propan-2-yloxymethyl)indol-7-amine
CID 117182559
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
CID 117182492
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-7-yl]methanamine
CID 117182232
2-[(4-methoxyphenoxy)methyl]-1-benzothiophen-7-amine
CID 117183296

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine (CID 117181993) is 3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine is COc1ccc(OCc2cn(C)c3c(N)cccc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine?
The InChIKey is MMYNTOZRBAZKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-10-12(15-4-3-5-16(18)17(15)19)11-21-14-8-6-13(20-2)7-9-14/h3-10H,11,18H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine?
3-[(4-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 3-[(4-methoxyphenoxy)methyl]-1-methylindol-7-amine is sourced from PubChem (CID 117181993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).