4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline

C16H19NO2 — CID 62155640

IUPAC4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline
SMILESCOc1ccc(C)cc1COCc1ccc(N)cc1
InChIInChI=1S/C16H19NO2/c1-12-3-8-16(18-2)14(9-12)11-19-10-13-4-6-15(17)7-5-13/h3-9H,10-11,17H2,1-2H3
InChIKeyXVLXGDWLVMCIMU-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.30
Rot. Bonds5

About 4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline

4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline (PubChem CID 62155640) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline.

Molecular Properties

Compound Name4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline
PubChem CID62155640
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline
SMILESCOc1ccc(C)cc1COCc1ccc(N)cc1
InChIInChI=1S/C16H19NO2/c1-12-3-8-16(18-2)14(9-12)11-19-10-13-4-6-15(17)7-5-13/h3-9H,10-11,17H2,1-2H3
InChIKeyXVLXGDWLVMCIMU-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710
[2-[[5-amino-2-[[5-amino-2-[[5-amino-2-[(5-amino-2-methoxyphenyl)methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]phenyl]methylperoxy]-5-methylphenyl]methanol
CID 123522185
4-methoxy-3-(prop-2-enoxymethyl)aniline
CID 53363952
5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
CID 82044512
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
CID 43247193
2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 170868758
4-methoxy-3-(2,2,2-trifluoroethoxymethyl)aniline
CID 43134642
(4-carbamoylphenyl)methyl 2-(2-methoxy-5-methylphenyl)acetate
CID 27205283
3-(hexoxymethyl)-4-methoxyaniline
CID 43134692
2-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanimidamide
CID 62160967

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline?
The IUPAC name of 4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline (CID 62155640) is 4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline.
What is the SMILES notation for 4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline?
The canonical SMILES for 4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline is COc1ccc(C)cc1COCc1ccc(N)cc1.
What is the InChIKey of 4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline?
The InChIKey is XVLXGDWLVMCIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-3-8-16(18-2)14(9-12)11-19-10-13-4-6-15(17)7-5-13/h3-9H,10-11,17H2,1-2H3.
What are the key properties of 4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline?
4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline has a molecular weight of 257.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-methylphenyl)methoxymethyl]aniline is sourced from PubChem (CID 62155640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).