3,5-dimethyl-2-(phenylmethoxymethoxy)aniline

C16H19NO2 — CID 102939310

IUPAC3,5-dimethyl-2-(phenylmethoxymethoxy)aniline
SMILESCc1cc(C)c(OCOCc2ccccc2)c(N)c1
InChIInChI=1S/C16H19NO2/c1-12-8-13(2)16(15(17)9-12)19-11-18-10-14-6-4-3-5-7-14/h3-9H,10-11,17H2,1-2H3
InChIKeyWHQIEQKBROMNGK-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.44
Rot. Bonds5

About 3,5-dimethyl-2-(phenylmethoxymethoxy)aniline

3,5-dimethyl-2-(phenylmethoxymethoxy)aniline (PubChem CID 102939310) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3,5-dimethyl-2-(phenylmethoxymethoxy)aniline.

Molecular Properties

Compound Name3,5-dimethyl-2-(phenylmethoxymethoxy)aniline
PubChem CID102939310
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3,5-dimethyl-2-(phenylmethoxymethoxy)aniline
SMILESCc1cc(C)c(OCOCc2ccccc2)c(N)c1
InChIInChI=1S/C16H19NO2/c1-12-8-13(2)16(15(17)9-12)19-11-18-10-14-6-4-3-5-7-14/h3-9H,10-11,17H2,1-2H3
InChIKeyWHQIEQKBROMNGK-UHFFFAOYSA-N
XLogP3.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-4-(phenylmethoxymethoxy)aniline
CID 102939316
3,5-dimethyl-2-(2-phenoxyethoxy)aniline
CID 54853263
1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
CID 102940828
2-[(3-methoxyphenyl)methoxy]-3,5-dimethylaniline
CID 55036946
5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline
CID 102939333
2-[(2-fluorophenyl)methoxy]-3,5-dimethylaniline
CID 62058212
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
3,5-dimethyl-2-(quinolin-2-ylmethoxy)aniline
CID 62099179
2-(2-amino-4,6-dimethylphenoxy)-N-phenylacetamide
CID 62056347
5-fluoro-2-(phenylmethoxymethoxy)aniline
CID 102939313
phenylmethoxymethyl 3-amino-5-methylbenzoate
CID 102940370

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(phenylmethoxymethoxy)aniline?
The IUPAC name of 3,5-dimethyl-2-(phenylmethoxymethoxy)aniline (CID 102939310) is 3,5-dimethyl-2-(phenylmethoxymethoxy)aniline.
What is the SMILES notation for 3,5-dimethyl-2-(phenylmethoxymethoxy)aniline?
The canonical SMILES for 3,5-dimethyl-2-(phenylmethoxymethoxy)aniline is Cc1cc(C)c(OCOCc2ccccc2)c(N)c1.
What is the InChIKey of 3,5-dimethyl-2-(phenylmethoxymethoxy)aniline?
The InChIKey is WHQIEQKBROMNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-8-13(2)16(15(17)9-12)19-11-18-10-14-6-4-3-5-7-14/h3-9H,10-11,17H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-(phenylmethoxymethoxy)aniline?
3,5-dimethyl-2-(phenylmethoxymethoxy)aniline has a molecular weight of 257.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(phenylmethoxymethoxy)aniline is sourced from PubChem (CID 102939310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).