2,5-dimethoxy-3-phenylmethoxyaniline

C15H17NO3 — CID 168869511

IUPAC2,5-dimethoxy-3-phenylmethoxyaniline
SMILESCOc1cc(N)c(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C15H17NO3/c1-17-12-8-13(16)15(18-2)14(9-12)19-10-11-6-4-3-5-7-11/h3-9H,10,16H2,1-2H3
InChIKeyVPEMEHSFXOWLMM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.87
Rot. Bonds5

About 2,5-dimethoxy-3-phenylmethoxyaniline

2,5-dimethoxy-3-phenylmethoxyaniline (PubChem CID 168869511) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,5-dimethoxy-3-phenylmethoxyaniline.

Molecular Properties

Compound Name2,5-dimethoxy-3-phenylmethoxyaniline
PubChem CID168869511
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2,5-dimethoxy-3-phenylmethoxyaniline
SMILESCOc1cc(N)c(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C15H17NO3/c1-17-12-8-13(16)15(18-2)14(9-12)19-10-11-6-4-3-5-7-11/h3-9H,10,16H2,1-2H3
InChIKeyVPEMEHSFXOWLMM-UHFFFAOYSA-N
XLogP2.87
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.87
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-methoxy-5-phenylmethoxyaniline
CID 12658785
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 69114272
5-methoxy-2-(3-phenylmethoxyphenoxy)aniline
CID 166611417
3-methoxy-4-phenylmethoxyaniline
CID 27226
(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
4-methoxy-2-(3-methoxyphenyl)-5-phenylmethoxyaniline
CID 66880803
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
1-(4-methoxy-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894473
5-(dimethoxymethyl)-2-phenylmethoxyaniline
CID 154099564
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-3-phenylmethoxyaniline?
The IUPAC name of 2,5-dimethoxy-3-phenylmethoxyaniline (CID 168869511) is 2,5-dimethoxy-3-phenylmethoxyaniline.
What is the SMILES notation for 2,5-dimethoxy-3-phenylmethoxyaniline?
The canonical SMILES for 2,5-dimethoxy-3-phenylmethoxyaniline is COc1cc(N)c(OC)c(OCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethoxy-3-phenylmethoxyaniline?
The InChIKey is VPEMEHSFXOWLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-17-12-8-13(16)15(18-2)14(9-12)19-10-11-6-4-3-5-7-11/h3-9H,10,16H2,1-2H3.
What are the key properties of 2,5-dimethoxy-3-phenylmethoxyaniline?
2,5-dimethoxy-3-phenylmethoxyaniline has a molecular weight of 259.31 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3-phenylmethoxyaniline is sourced from PubChem (CID 168869511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).