1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine

C15H26N2O2 — CID 116949042

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
SMILESCNC(c1cc(OC)c(OC)cc1C)C(C)(C)CN
InChIInChI=1S/C15H26N2O2/c1-10-7-12(18-5)13(19-6)8-11(10)14(17-4)15(2,3)9-16/h7-8,14,17H,9,16H2,1-6H3
InChIKeyLNEOHVPMJQVWQD-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.26
Rot. Bonds6

About 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine

1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine (PubChem CID 116949042) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
PubChem CID116949042
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
SMILESCNC(c1cc(OC)c(OC)cc1C)C(C)(C)CN
InChIInChI=1S/C15H26N2O2/c1-10-7-12(18-5)13(19-6)8-11(10)14(17-4)15(2,3)9-16/h7-8,14,17H,9,16H2,1-6H3
InChIKeyLNEOHVPMJQVWQD-UHFFFAOYSA-N
XLogP2.26
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62678421
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
1-(4,5-dimethoxy-2-methylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43626707
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
1-(4-methoxy-3-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116948987
1-(2,5-difluoro-4-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949070
1-(5-bromo-2-methoxyphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949009
1-(4-methoxy-2,5-dimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 116954031
1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933396
3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116957681
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 62866754
1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949606

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine (CID 116949042) is 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine is CNC(c1cc(OC)c(OC)cc1C)C(C)(C)CN.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
The InChIKey is LNEOHVPMJQVWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10-7-12(18-5)13(19-6)8-11(10)14(17-4)15(2,3)9-16/h7-8,14,17H,9,16H2,1-6H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine?
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 116949042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).