N'-(4-methoxy-3,5-dimethylphenyl)methanediamine

C10H16N2O — CID 115225476

IUPACN'-(4-methoxy-3,5-dimethylphenyl)methanediamine
SMILESCOc1c(C)cc(NCN)cc1C
InChIInChI=1S/C10H16N2O/c1-7-4-9(12-6-11)5-8(2)10(7)13-3/h4-5,12H,6,11H2,1-3H3
InChIKeyLRLIHNPGWGIFJT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.64
Rot. Bonds3

About N'-(4-methoxy-3,5-dimethylphenyl)methanediamine

N'-(4-methoxy-3,5-dimethylphenyl)methanediamine (PubChem CID 115225476) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-(4-methoxy-3,5-dimethylphenyl)methanediamine.

Molecular Properties

Compound NameN'-(4-methoxy-3,5-dimethylphenyl)methanediamine
PubChem CID115225476
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN'-(4-methoxy-3,5-dimethylphenyl)methanediamine
SMILESCOc1c(C)cc(NCN)cc1C
InChIInChI=1S/C10H16N2O/c1-7-4-9(12-6-11)5-8(2)10(7)13-3/h4-5,12H,6,11H2,1-3H3
InChIKeyLRLIHNPGWGIFJT-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': '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

2-(4-methoxy-3,5-dimethylanilino)acetaldehyde
CID 115222701
2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
CID 115120343
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
2-(3-amino-4-methoxy-5-methylanilino)ethanol
CID 143181854
2-amino-4-(4-methoxy-3,5-dimethylanilino)butanoic acid
CID 115241061
2-[(4-methoxy-3,5-dimethylanilino)methyl]-3-methylbutanenitrile
CID 115254301
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-2-methylpropanamide
CID 115153518
N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
CID 115225481
ethane;O-[(4-methoxy-3,5-dimethylphenyl)methyl]hydroxylamine
CID 154695651
methyl 3-hydroxy-4-(4-methoxy-3,5-dimethylanilino)butanoate
CID 115123244
1-[(4-methoxy-3,5-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242776
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-3,5-dimethylphenyl)methanediamine?
The IUPAC name of N'-(4-methoxy-3,5-dimethylphenyl)methanediamine (CID 115225476) is N'-(4-methoxy-3,5-dimethylphenyl)methanediamine.
What is the SMILES notation for N'-(4-methoxy-3,5-dimethylphenyl)methanediamine?
The canonical SMILES for N'-(4-methoxy-3,5-dimethylphenyl)methanediamine is COc1c(C)cc(NCN)cc1C.
What is the InChIKey of N'-(4-methoxy-3,5-dimethylphenyl)methanediamine?
The InChIKey is LRLIHNPGWGIFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-4-9(12-6-11)5-8(2)10(7)13-3/h4-5,12H,6,11H2,1-3H3.
What are the key properties of N'-(4-methoxy-3,5-dimethylphenyl)methanediamine?
N'-(4-methoxy-3,5-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'-(4-methoxy-3,5-dimethylphenyl)methanediamine is sourced from PubChem (CID 115225476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).