1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine

C17H29NO2 — CID 105028738

IUPAC1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1c(OC)cccc1OC
InChIInChI=1S/C17H29NO2/c1-6-18-14(10-7-9-13(2)3)17-15(19-4)11-8-12-16(17)20-5/h8,11-14,18H,6-7,9-10H2,1-5H3
InChIKeyYISJGKCLDUSNQQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.18
Rot. Bonds9

About 1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine

1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine (PubChem CID 105028738) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
PubChem CID105028738
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)c1c(OC)cccc1OC
InChIInChI=1S/C17H29NO2/c1-6-18-14(10-7-9-13(2)3)17-15(19-4)11-8-12-16(17)20-5/h8,11-14,18H,6-7,9-10H2,1-5H3
InChIKeyYISJGKCLDUSNQQ-UHFFFAOYSA-N
XLogP4.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103032151
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456
1-(2,6-dimethoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105188714
1-(2,6-dimethoxyphenyl)hexylhydrazine
CID 105294707
1-(2,6-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034069
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
1-(2-chloro-6-methoxyphenyl)-N-ethylethane-1,2-diamine
CID 104816313

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine (CID 105028738) is 1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine is CCNC(CCCC(C)C)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine?
The InChIKey is YISJGKCLDUSNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-18-14(10-7-9-13(2)3)17-15(19-4)11-8-12-16(17)20-5/h8,11-14,18H,6-7,9-10H2,1-5H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine?
1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine is sourced from PubChem (CID 105028738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).