1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine

C14H24N2O2 — CID 116948929

IUPAC1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
SMILESCNC(CC(C)N)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C14H24N2O2/c1-9-6-11(17-4)8-13(18-5)14(9)12(16-3)7-10(2)15/h6,8,10,12,16H,7,15H2,1-5H3
InChIKeyUVYYMWJOUZTFFB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.01
Rot. Bonds6

About 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine

1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine (PubChem CID 116948929) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
PubChem CID116948929
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
SMILESCNC(CC(C)N)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C14H24N2O2/c1-9-6-11(17-4)8-13(18-5)14(9)12(16-3)7-10(2)15/h6,8,10,12,16H,7,15H2,1-5H3
InChIKeyUVYYMWJOUZTFFB-UHFFFAOYSA-N
XLogP2.01
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 114874234
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 116948303
1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934957
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769
1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine
CID 82048906

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine (CID 116948929) is 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine is CNC(CC(C)N)c1c(C)cc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine?
The InChIKey is UVYYMWJOUZTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-6-11(17-4)8-13(18-5)14(9)12(16-3)7-10(2)15/h6,8,10,12,16H,7,15H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine?
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 116948929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).