N'-(2-methoxy-4,6-dimethylphenyl)methanediamine

C10H16N2O — CID 115225448

IUPACN'-(2-methoxy-4,6-dimethylphenyl)methanediamine
SMILESCOc1cc(C)cc(C)c1NCN
InChIInChI=1S/C10H16N2O/c1-7-4-8(2)10(12-6-11)9(5-7)13-3/h4-5,12H,6,11H2,1-3H3
InChIKeyCLFYEMWJQUSRBP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.64
Rot. Bonds3

About N'-(2-methoxy-4,6-dimethylphenyl)methanediamine

N'-(2-methoxy-4,6-dimethylphenyl)methanediamine (PubChem CID 115225448) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-(2-methoxy-4,6-dimethylphenyl)methanediamine.

Molecular Properties

Compound NameN'-(2-methoxy-4,6-dimethylphenyl)methanediamine
PubChem CID115225448
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN'-(2-methoxy-4,6-dimethylphenyl)methanediamine
SMILESCOc1cc(C)cc(C)c1NCN
InChIInChI=1S/C10H16N2O/c1-7-4-8(2)10(12-6-11)9(5-7)13-3/h4-5,12H,6,11H2,1-3H3
InChIKeyCLFYEMWJQUSRBP-UHFFFAOYSA-N
XLogP1.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline
CID 115214635
N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
CID 115225481
1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine
CID 115203619
2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244536
ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate
CID 115128687
1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115241999
(E)-4-(2-methoxy-4,6-dimethylanilino)but-2-enoic acid
CID 115236912
2-methoxy-4,6-dimethyl-N-(2-piperidin-4-ylethyl)aniline
CID 115211539
3-hydroxy-4-(2-methoxy-4,6-dimethylanilino)butanoic acid
CID 115122881
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
1-N-(2-methoxy-4,6-dimethylphenyl)-4-methylbenzene-1,2-diamine
CID 115124937
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-4,6-dimethylphenyl)methanediamine?
The IUPAC name of N'-(2-methoxy-4,6-dimethylphenyl)methanediamine (CID 115225448) is N'-(2-methoxy-4,6-dimethylphenyl)methanediamine.
What is the SMILES notation for N'-(2-methoxy-4,6-dimethylphenyl)methanediamine?
The canonical SMILES for N'-(2-methoxy-4,6-dimethylphenyl)methanediamine is COc1cc(C)cc(C)c1NCN.
What is the InChIKey of N'-(2-methoxy-4,6-dimethylphenyl)methanediamine?
The InChIKey is CLFYEMWJQUSRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-4-8(2)10(12-6-11)9(5-7)13-3/h4-5,12H,6,11H2,1-3H3.
What are the key properties of N'-(2-methoxy-4,6-dimethylphenyl)methanediamine?
N'-(2-methoxy-4,6-dimethylphenyl)methanediamine has a molecular weight of 180.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-4,6-dimethylphenyl)methanediamine is sourced from PubChem (CID 115225448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).