N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine

C12H20N2O2 — CID 115226861

IUPACN'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
SMILESCNCNCc1ccc(OC)c(C)c1OC
InChIInChI=1S/C12H20N2O2/c1-9-11(15-3)6-5-10(12(9)16-4)7-14-8-13-2/h5-6,13-14H,7-8H2,1-4H3
InChIKeyJPWBNPZLZIYCIO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.28
Rot. Bonds6

About N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine

N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine (PubChem CID 115226861) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
PubChem CID115226861
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
SMILESCNCNCc1ccc(OC)c(C)c1OC
InChIInChI=1S/C12H20N2O2/c1-9-11(15-3)6-5-10(12(9)16-4)7-14-8-13-2/h5-6,13-14H,7-8H2,1-4H3
InChIKeyJPWBNPZLZIYCIO-UHFFFAOYSA-N
XLogP1.28
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dimethoxy-3-methylphenyl)methylamino]acetonitrile
CID 115131002
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257877
1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234740
1-N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200621
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
5-[(2,4-dimethoxy-3-methylphenyl)methylamino]pentan-2-one
CID 115236495
2-(2,4-dimethoxy-3-methylphenyl)-N'-methylacetohydrazide
CID 116846220
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208814
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
2-cyano-N-[(2,4-dimethoxy-3-methylphenyl)methyl]acetamide
CID 115173101
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 110783236
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine?
The IUPAC name of N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine (CID 115226861) is N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine?
The canonical SMILES for N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine is CNCNCc1ccc(OC)c(C)c1OC.
What is the InChIKey of N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine?
The InChIKey is JPWBNPZLZIYCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-11(15-3)6-5-10(12(9)16-4)7-14-8-13-2/h5-6,13-14H,7-8H2,1-4H3.
What are the key properties of N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine?
N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine has a molecular weight of 224.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine is sourced from PubChem (CID 115226861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).