1-(4-methoxyphenoxy)-N-methylmethanamine

C9H13NO2 — CID 22961125

IUPAC1-(4-methoxyphenoxy)-N-methylmethanamine
SMILESCNCOc1ccc(OC)cc1
InChIInChI=1S/C9H13NO2/c1-10-7-12-9-5-3-8(11-2)4-6-9/h3-6,10H,7H2,1-2H3
InChIKeyJISRXRWZRCRTGE-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.25
Rot. Bonds4

About 1-(4-methoxyphenoxy)-N-methylmethanamine

1-(4-methoxyphenoxy)-N-methylmethanamine (PubChem CID 22961125) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-N-methylmethanamine
PubChem CID22961125
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(4-methoxyphenoxy)-N-methylmethanamine
SMILESCNCOc1ccc(OC)cc1
InChIInChI=1S/C9H13NO2/c1-10-7-12-9-5-3-8(11-2)4-6-9/h3-6,10H,7H2,1-2H3
InChIKeyJISRXRWZRCRTGE-UHFFFAOYSA-N
XLogP1.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.25
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

5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
2-[(4-methoxyphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066711
(4-methoxyphenoxy)methanol
CID 20580272
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
1-[4-(hydroperoxymethyl)phenoxy]-N-methylmethanamine;sulfur dioxide
CID 54011891
2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
CID 62596783
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
2-[(4-methoxyphenoxy)methyl]-N-methylcyclopropan-1-amine
CID 112547426
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 142914034
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-N-methylmethanamine?
The IUPAC name of 1-(4-methoxyphenoxy)-N-methylmethanamine (CID 22961125) is 1-(4-methoxyphenoxy)-N-methylmethanamine.
What is the SMILES notation for 1-(4-methoxyphenoxy)-N-methylmethanamine?
The canonical SMILES for 1-(4-methoxyphenoxy)-N-methylmethanamine is CNCOc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-N-methylmethanamine?
The InChIKey is JISRXRWZRCRTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-7-12-9-5-3-8(11-2)4-6-9/h3-6,10H,7H2,1-2H3.
What are the key properties of 1-(4-methoxyphenoxy)-N-methylmethanamine?
1-(4-methoxyphenoxy)-N-methylmethanamine has a molecular weight of 167.21 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-N-methylmethanamine is sourced from PubChem (CID 22961125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).