2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine

C15H18N2O2 — CID 143210311

IUPAC2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine
SMILESCOCOc1ccc(Nc2cc(C)ccc2N)cc1
InChIInChI=1S/C15H18N2O2/c1-11-3-8-14(16)15(9-11)17-12-4-6-13(7-5-12)19-10-18-2/h3-9,17H,10,16H2,1-2H3
InChIKeySXCSRAFDMLVAPY-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.30
Rot. Bonds5

About 2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine

2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine (PubChem CID 143210311) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine
PubChem CID143210311
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine
SMILESCOCOc1ccc(Nc2cc(C)ccc2N)cc1
InChIInChI=1S/C15H18N2O2/c1-11-3-8-14(16)15(9-11)17-12-4-6-13(7-5-12)19-10-18-2/h3-9,17H,10,16H2,1-2H3
InChIKeySXCSRAFDMLVAPY-UHFFFAOYSA-N
XLogP3.30
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-aminophenyl)-4-methylbenzene-1,2-diamine;dihydrochloride
CID 70626485
4-(methoxymethoxy)-2-methylaniline
CID 14883323
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
2-N-(3,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 56636906
2-N-(2-methoxy-4,5-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115126204
N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502699
4-amino-3-(2,5-dimethylanilino)benzonitrile
CID 104711457
6-N-(4-butoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547012
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142
2-N-(3-iodo-4-methylphenyl)-4-methoxybenzene-1,2-diamine
CID 114257091
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
CID 115126227

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine (CID 143210311) is 2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine is COCOc1ccc(Nc2cc(C)ccc2N)cc1.
What is the InChIKey of 2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine?
The InChIKey is SXCSRAFDMLVAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-3-8-14(16)15(9-11)17-12-4-6-13(7-5-12)19-10-18-2/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine?
2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine has a molecular weight of 258.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(methoxymethoxy)phenyl]-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 143210311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).