N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine

C11H18N2O — CID 115225481

IUPACN'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
SMILESCOc1cc(C)c(NCN)c(C)c1C
InChIInChI=1S/C11H18N2O/c1-7-5-10(14-4)8(2)9(3)11(7)13-6-12/h5,13H,6,12H2,1-4H3
InChIKeyBBYDHSXUXNEZSR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.95
Rot. Bonds3

About N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine

N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine (PubChem CID 115225481) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine.

Molecular Properties

Compound NameN'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
PubChem CID115225481
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
SMILESCOc1cc(C)c(NCN)c(C)c1C
InChIInChI=1S/C11H18N2O/c1-7-5-10(14-4)8(2)9(3)11(7)13-6-12/h5,13H,6,12H2,1-4H3
InChIKeyBBYDHSXUXNEZSR-UHFFFAOYSA-N
XLogP1.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-methoxy-2,3,6-trimethylanilino)methanethiol
CID 115227686
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
CID 115243925
N'-(2-methoxy-4,6-dimethylphenyl)methanediamine
CID 115225448
N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206306
4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
CID 115217429
2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol
CID 115133196
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116962203
3-(4-methoxy-2,3,6-trimethylanilino)-3-oxopropanoic acid
CID 115163267
2-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)propanamide
CID 115140443
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
4-methoxy-2,3,6-trimethyl-N-(morpholin-3-ylmethyl)aniline
CID 115237900

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine?
The IUPAC name of N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine (CID 115225481) is N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine.
What is the SMILES notation for N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine?
The canonical SMILES for N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine is COc1cc(C)c(NCN)c(C)c1C.
What is the InChIKey of N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine?
The InChIKey is BBYDHSXUXNEZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-5-10(14-4)8(2)9(3)11(7)13-6-12/h5,13H,6,12H2,1-4H3.
What are the key properties of N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine?
N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine has a molecular weight of 194.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine is sourced from PubChem (CID 115225481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).