N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine

C12H20N2O — CID 115226171

IUPACN'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
SMILESCOc1ccc(C)cc1CCN(C)CN
InChIInChI=1S/C12H20N2O/c1-10-4-5-12(15-3)11(8-10)6-7-14(2)9-13/h4-5,8H,6-7,9,13H2,1-3H3
InChIKeyOOQSAPGLMDLGAI-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.39
Rot. Bonds5

About N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine

N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine (PubChem CID 115226171) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
PubChem CID115226171
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
SMILESCOc1ccc(C)cc1CCN(C)CN
InChIInChI=1S/C12H20N2O/c1-10-4-5-12(15-3)11(8-10)6-7-14(2)9-13/h4-5,8H,6-7,9,13H2,1-3H3
InChIKeyOOQSAPGLMDLGAI-UHFFFAOYSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]propane-1-thiol
CID 115225218
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226195
3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040436
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226227
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242577
4-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]-3-oxobutanenitrile
CID 117038554
1-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 115200689
3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
CID 115139401
2-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251726
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201513
2-(ethylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylacetamide
CID 115158094

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine?
The IUPAC name of N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine (CID 115226171) is N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine is COc1ccc(C)cc1CCN(C)CN.
What is the InChIKey of N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine?
The InChIKey is OOQSAPGLMDLGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-4-5-12(15-3)11(8-10)6-7-14(2)9-13/h4-5,8H,6-7,9,13H2,1-3H3.
What are the key properties of N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine?
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine has a molecular weight of 208.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine is sourced from PubChem (CID 115226171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).