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

C15H26N2O2 — CID 116949606

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
SMILESCNC(c1cc(OC)c(OC)cc1C)C(C)CCN
InChIInChI=1S/C15H26N2O2/c1-10(6-7-16)15(17-3)12-9-14(19-5)13(18-4)8-11(12)2/h8-10,15,17H,6-7,16H2,1-5H3
InChIKeyHUXLWJYVCPOTPI-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.26
Rot. Bonds7

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

1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine (PubChem CID 116949606) 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-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
PubChem CID116949606
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
SMILESCNC(c1cc(OC)c(OC)cc1C)C(C)CCN
InChIInChI=1S/C15H26N2O2/c1-10(6-7-16)15(17-3)12-9-14(19-5)13(18-4)8-11(12)2/h8-10,15,17H,6-7,16H2,1-5H3
InChIKeyHUXLWJYVCPOTPI-UHFFFAOYSA-N
XLogP2.26
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

3-amino-1-(4,5-dimethoxy-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116957681
1-(5-chloro-4-methoxy-2-methylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948716
1-(4-methoxy-2,3,5-trimethylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949598
1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
CID 43626705
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949556
1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
1-(5-bromo-2-methoxy-4-methylphenyl)-N,2-dimethylpentan-1-amine
CID 65438768
3-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077547
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948793
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine (CID 116949606) is 1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine is CNC(c1cc(OC)c(OC)cc1C)C(C)CCN.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine?
The InChIKey is HUXLWJYVCPOTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(6-7-16)15(17-3)12-9-14(19-5)13(18-4)8-11(12)2/h8-10,15,17H,6-7,16H2,1-5H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine?
1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.26, 7 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-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).