1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine

C16H27NO2 — CID 43626705

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-11(2)7-8-14(17-4)13-10-16(19-6)15(18-5)9-12(13)3/h9-11,14,17H,7-8H2,1-6H3
InChIKeyUXIFOUQAMNGYQM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.71
Rot. Bonds7

About 1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine

1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine (PubChem CID 43626705) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
PubChem CID43626705
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C16H27NO2/c1-11(2)7-8-14(17-4)13-10-16(19-6)15(18-5)9-12(13)3/h9-11,14,17H,7-8H2,1-6H3
InChIKeyUXIFOUQAMNGYQM-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948581
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-(4,5-dimethoxy-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949606
1-(2-chloro-4,5-dimethylphenyl)-N,4-dimethylpentan-1-amine
CID 113319435
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105179029
1-(2,4-difluoro-5-methylphenyl)-N,4-dimethylpentan-1-amine
CID 79723951
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine (CID 43626705) is 1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine?
The InChIKey is UXIFOUQAMNGYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-11(2)7-8-14(17-4)13-10-16(19-6)15(18-5)9-12(13)3/h9-11,14,17H,7-8H2,1-6H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine?
1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 43626705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).