1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine

C15H26N2O — CID 116948793

IUPAC1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine
SMILESCNC(c1c(C)cc(OC)c(C)c1C)C(C)CN
InChIInChI=1S/C15H26N2O/c1-9-7-13(18-6)11(3)12(4)14(9)15(17-5)10(2)8-16/h7,10,15,17H,8,16H2,1-6H3
InChIKeyLUFDCOGWXNKCGI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.48
Rot. Bonds5

About 1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine

1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine (PubChem CID 116948793) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine
PubChem CID116948793
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine
SMILESCNC(c1c(C)cc(OC)c(C)c1C)C(C)CN
InChIInChI=1S/C15H26N2O/c1-9-7-13(18-6)11(3)12(4)14(9)15(17-5)10(2)8-16/h7,10,15,17H,8,16H2,1-6H3
InChIKeyLUFDCOGWXNKCGI-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-4-methoxy-2-methylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948716
(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
1-(4-methoxy-2,3,6-trimethylphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 116831668
1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949606
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116957681
2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116835551
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948678
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetonitrile
CID 116851070
3-(dimethylamino)-3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-ol
CID 83939317
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine (CID 116948793) is 1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine is CNC(c1c(C)cc(OC)c(C)c1C)C(C)CN.
What is the InChIKey of 1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine?
The InChIKey is LUFDCOGWXNKCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-9-7-13(18-6)11(3)12(4)14(9)15(17-5)10(2)8-16/h7,10,15,17H,8,16H2,1-6H3.
What are the key properties of 1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine?
1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116948793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).