1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

C15H26N2O — CID 116954031

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(c1cc(C)c(OC)cc1C)C(C)(C)NC
InChIInChI=1S/C15H26N2O/c1-10-9-13(18-7)11(2)8-12(10)14(16-5)15(3,4)17-6/h8-9,14,16-17H,1-7H3
InChIKeyOFNATVMISKKCJH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.57
Rot. Bonds5

About 1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 116954031) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID116954031
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(c1cc(C)c(OC)cc1C)C(C)(C)NC
InChIInChI=1S/C15H26N2O/c1-10-9-13(18-7)11(2)8-12(10)14(16-5)15(3,4)17-6/h8-9,14,16-17H,1-7H3
InChIKeyOFNATVMISKKCJH-UHFFFAOYSA-N
XLogP2.57
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62678421
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
1-(5-fluoro-2-methoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954012
3-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethyl-3-(methylamino)propanoic acid
CID 116953214
1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43626707
1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909230
1-(3,4-dimethoxyphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954007
[1-(4-methoxy-2,5-dimethylphenyl)-2-methyl-2-methylsulfonylpropyl]hydrazine
CID 105333051
1-(dimethoxymethyl)-4-methoxy-2,5-dimethylbenzene
CID 20549048
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 116954031) is 1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNC(c1cc(C)c(OC)cc1C)C(C)(C)NC.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is OFNATVMISKKCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10-9-13(18-7)11(2)8-12(10)14(16-5)15(3,4)17-6/h8-9,14,16-17H,1-7H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 116954031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).