1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine

C9H14N2O — CID 174946886

IUPAC1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
SMILESCOCNc1ccc(C)cc1N
InChIInChI=1S/C9H14N2O/c1-7-3-4-9(8(10)5-7)11-6-12-2/h3-5,11H,6,10H2,1-2H3
InChIKeyPLHVEBKADXODOX-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.59
Rot. Bonds3

About 1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine

1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine (PubChem CID 174946886) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
PubChem CID174946886
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
SMILESCOCNc1ccc(C)cc1N
InChIInChI=1S/C9H14N2O/c1-7-3-4-9(8(10)5-7)11-6-12-2/h3-5,11H,6,10H2,1-2H3
InChIKeyPLHVEBKADXODOX-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
CID 102694434
1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine
CID 54377265
1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
CID 91826509
1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine
CID 43370979
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-(2-amino-4-methylanilino)acetamide
CID 43349420
2-hydrazinyl-5-methylaniline
CID 89276855
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 60918123
2-(2-amino-4-methylanilino)-N-methylacetamide
CID 43310500
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
1-N-[(2,5-diaminophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 23440273

Frequently Asked Questions

What is the IUPAC name of 1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine (CID 174946886) is 1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine is COCNc1ccc(C)cc1N.
What is the InChIKey of 1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine?
The InChIKey is PLHVEBKADXODOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-3-4-9(8(10)5-7)11-6-12-2/h3-5,11H,6,10H2,1-2H3.
What are the key properties of 1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine?
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine has a molecular weight of 166.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 174946886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).