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

C15H26N2O2 — CID 116949911

IUPAC1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
SMILESCNC(CCC(C)N)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C15H26N2O2/c1-10-8-12(18-4)9-14(19-5)15(10)13(17-3)7-6-11(2)16/h8-9,11,13,17H,6-7,16H2,1-5H3
InChIKeyBBDHBXAWIARMEM-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.40
Rot. Bonds7

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

1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine (PubChem CID 116949911) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
PubChem CID116949911
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
SMILESCNC(CCC(C)N)c1c(C)cc(OC)cc1OC
InChIInChI=1S/C15H26N2O2/c1-10-8-12(18-4)9-14(19-5)15(10)13(17-3)7-6-11(2)16/h8-9,11,13,17H,6-7,16H2,1-5H3
InChIKeyBBDHBXAWIARMEM-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116948588
1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
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
3-(2,4-dimethoxy-6-methylphenyl)-3-(dimethylamino)propan-1-ol
CID 116907711
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine (CID 116949911) is 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine is CNC(CCC(C)N)c1c(C)cc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine?
The InChIKey is BBDHBXAWIARMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10-8-12(18-4)9-14(19-5)15(10)13(17-3)7-6-11(2)16/h8-9,11,13,17H,6-7,16H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine?
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.40, 7 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-methylpentane-1,4-diamine is sourced from PubChem (CID 116949911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).