1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine

C16H27NO — CID 83161919

IUPAC1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H27NO/c1-12(2)7-6-8-15(17-4)14-9-10-16(18-5)13(3)11-14/h9-12,15,17H,6-8H2,1-5H3
InChIKeyAQNRJKWUGXTFDK-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.09
Rot. Bonds7

About 1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine

1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine (PubChem CID 83161919) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
PubChem CID83161919
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H27NO/c1-12(2)7-6-8-15(17-4)14-9-10-16(18-5)13(3)11-14/h9-12,15,17H,6-8H2,1-5H3
InChIKeyAQNRJKWUGXTFDK-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43487404
1-(3,4-dimethoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949261
[4-methoxy-1-(4-methoxy-3-methylphenyl)butyl]hydrazine
CID 105258430
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 116950576
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
2-methoxy-1-methyl-4-(6-methylheptan-2-yl)benzene
CID 71320824
2-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 43487445
N-ethyl-1-(4-methoxy-3-methylphenyl)hex-5-yn-1-amine
CID 113374381

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine (CID 83161919) is 1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine is CNC(CCCC(C)C)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine?
The InChIKey is AQNRJKWUGXTFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(2)7-6-8-15(17-4)14-9-10-16(18-5)13(3)11-14/h9-12,15,17H,6-8H2,1-5H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine?
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 83161919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).