2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline

C16H19NO2 — CID 55036946

IUPAC2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline
SMILESCOc1cccc(COc2c(C)cc(C)cc2N)c1
InChIInChI=1S/C16H19NO2/c1-11-7-12(2)16(15(17)8-11)19-10-13-5-4-6-14(9-13)18-3/h4-9H,10,17H2,1-3H3
InChIKeyLDAIAIIPGOKXPJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.47
Rot. Bonds4

About 2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline

2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline (PubChem CID 55036946) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline
PubChem CID55036946
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline
SMILESCOc1cccc(COc2c(C)cc(C)cc2N)c1
InChIInChI=1S/C16H19NO2/c1-11-7-12(2)16(15(17)8-11)19-10-13-5-4-6-14(9-13)18-3/h4-9H,10,17H2,1-3H3
InChIKeyLDAIAIIPGOKXPJ-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
CID 43379359
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
3,5-dimethyl-2-(phenylmethoxymethoxy)aniline
CID 102939310
1-[3-amino-5-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]ethanone
CID 116541394
2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 24708484
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 61227713
2-[(3-methoxyphenyl)methoxy]-1,3-thiazol-5-amine
CID 102769354

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline (CID 55036946) is 2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline is COc1cccc(COc2c(C)cc(C)cc2N)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline?
The InChIKey is LDAIAIIPGOKXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-12(2)16(15(17)8-11)19-10-13-5-4-6-14(9-13)18-3/h4-9H,10,17H2,1-3H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline?
2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline has a molecular weight of 257.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline is sourced from PubChem (CID 55036946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).