N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine

C14H24N2O — CID 115226303

IUPACN'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine
SMILESCOc1cc(C)c(CCN(C)CN)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-10-8-14(17-5)12(3)11(2)13(10)6-7-16(4)9-15/h8H,6-7,9,15H2,1-5H3
InChIKeyREJIRFNDQXLAOX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.01
Rot. Bonds5

About N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine

N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine (PubChem CID 115226303) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine
PubChem CID115226303
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine
SMILESCOc1cc(C)c(CCN(C)CN)c(C)c1C
InChIInChI=1S/C14H24N2O/c1-10-8-14(17-5)12(3)11(2)13(10)6-7-16(4)9-15/h8H,6-7,9,15H2,1-5H3
InChIKeyREJIRFNDQXLAOX-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.01
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-(4-methoxy-2,3,6-trimethylphenyl)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

N-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194169
N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-N-methylethanamine
CID 115259506
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116927391
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226227
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
N'-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-N'-methylbutane-1,4-diamine
CID 115201544
N'-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-methylmethanediamine
CID 115225660
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
CID 115168578
N-(2-chloroethyl)-2-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 115215127
methyl 2-[(4-methoxy-2,3,6-trimethylphenyl)methyl-methylamino]acetate
CID 115232995

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine?
The IUPAC name of N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine (CID 115226303) is N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine is COc1cc(C)c(CCN(C)CN)c(C)c1C.
What is the InChIKey of N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine?
The InChIKey is REJIRFNDQXLAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-8-14(17-5)12(3)11(2)13(10)6-7-16(4)9-15/h8H,6-7,9,15H2,1-5H3.
What are the key properties of N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine?
N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine has a molecular weight of 236.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine is sourced from PubChem (CID 115226303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).