1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine

C16H27NO — CID 62601026

IUPAC1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
SMILESCNC(CCC(C)(C)C)Cc1ccccc1OC
InChIInChI=1S/C16H27NO/c1-16(2,3)11-10-14(17-4)12-13-8-6-7-9-15(13)18-5/h6-9,14,17H,10-12H2,1-5H3
InChIKeyVDCVYJHEXWSCPS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.65
Rot. Bonds6

About 1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine

1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine (PubChem CID 62601026) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
PubChem CID62601026
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
SMILESCNC(CCC(C)(C)C)Cc1ccccc1OC
InChIInChI=1S/C16H27NO/c1-16(2,3)11-10-14(17-4)12-13-8-6-7-9-15(13)18-5/h6-9,14,17H,10-12H2,1-5H3
InChIKeyVDCVYJHEXWSCPS-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methoxyphenyl)-5,5-dimethylhexan-2-yl]hydrazine
CID 105205034
[1-(2-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211443
1-(2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
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1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
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CID 62473638
1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 61262537
1-(2-methoxyphenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 65142417
1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580
[1-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
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1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
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CID 63018076

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine (CID 62601026) is 1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine is CNC(CCC(C)(C)C)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine?
The InChIKey is VDCVYJHEXWSCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-16(2,3)11-10-14(17-4)12-13-8-6-7-9-15(13)18-5/h6-9,14,17H,10-12H2,1-5H3.
What are the key properties of 1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine?
1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine is sourced from PubChem (CID 62601026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).