N-[(2-methoxyphenoxy)methyl]-3-methylaniline

C15H17NO2 — CID 20614867

IUPACN-[(2-methoxyphenoxy)methyl]-3-methylaniline
SMILESCOc1ccccc1OCNc1cccc(C)c1
InChIInChI=1S/C15H17NO2/c1-12-6-5-7-13(10-12)16-11-18-15-9-4-3-8-14(15)17-2/h3-10,16H,11H2,1-2H3
InChIKeyCYNDRNPJFXMPRR-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.45
Rot. Bonds5

About N-[(2-methoxyphenoxy)methyl]-3-methylaniline

N-[(2-methoxyphenoxy)methyl]-3-methylaniline (PubChem CID 20614867) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(2-methoxyphenoxy)methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[(2-methoxyphenoxy)methyl]-3-methylaniline
PubChem CID20614867
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[(2-methoxyphenoxy)methyl]-3-methylaniline
SMILESCOc1ccccc1OCNc1cccc(C)c1
InChIInChI=1S/C15H17NO2/c1-12-6-5-7-13(10-12)16-11-18-15-9-4-3-8-14(15)17-2/h3-10,16H,11H2,1-2H3
InChIKeyCYNDRNPJFXMPRR-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.45
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

N-[(3-methoxyphenoxy)methyl]-3-methylaniline
CID 20614875
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
CID 94271270
3-bromo-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 55093133
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
CID 90483636
2-(2-methoxyphenoxy)-N-[6-(3-methylanilino)pyridazin-3-yl]acetamide
CID 113045737
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]-3-methylaniline
CID 39422766
1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115377842
N-[2-(2-methoxyphenoxy)ethyl]-3-(trifluoromethyl)aniline
CID 54803252
N-[[(E)-2-ethoxyethenoxy]methyl]-3-methylaniline
CID 21056799
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylaniline
CID 2192356

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenoxy)methyl]-3-methylaniline?
The IUPAC name of N-[(2-methoxyphenoxy)methyl]-3-methylaniline (CID 20614867) is N-[(2-methoxyphenoxy)methyl]-3-methylaniline.
What is the SMILES notation for N-[(2-methoxyphenoxy)methyl]-3-methylaniline?
The canonical SMILES for N-[(2-methoxyphenoxy)methyl]-3-methylaniline is COc1ccccc1OCNc1cccc(C)c1.
What is the InChIKey of N-[(2-methoxyphenoxy)methyl]-3-methylaniline?
The InChIKey is CYNDRNPJFXMPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-12-6-5-7-13(10-12)16-11-18-15-9-4-3-8-14(15)17-2/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[(2-methoxyphenoxy)methyl]-3-methylaniline?
N-[(2-methoxyphenoxy)methyl]-3-methylaniline has a molecular weight of 243.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenoxy)methyl]-3-methylaniline is sourced from PubChem (CID 20614867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).