6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine

C16H27NO — CID 83942665

IUPAC6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
SMILESCCc1ccc(OC)c(CCCC(N)C(C)C)c1
InChIInChI=1S/C16H27NO/c1-5-13-9-10-16(18-4)14(11-13)7-6-8-15(17)12(2)3/h9-12,15H,5-8,17H2,1-4H3
InChIKeyYRKYTBVFWGSXJY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.56
Rot. Bonds7

About 6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine

6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine (PubChem CID 83942665) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
PubChem CID83942665
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
SMILESCCc1ccc(OC)c(CCCC(N)C(C)C)c1
InChIInChI=1S/C16H27NO/c1-5-13-9-10-16(18-4)14(11-13)7-6-8-15(17)12(2)3/h9-12,15H,5-8,17H2,1-4H3
InChIKeyYRKYTBVFWGSXJY-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,5-diethylphenyl)-2-methylhexan-3-amine
CID 83920903
2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
CID 115005494
4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
CID 83942714
2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040130
6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
5-(2-methoxy-5-methylphenyl)pentan-2-amine
CID 64505046
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108
2-[(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116931688

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine?
The IUPAC name of 6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine (CID 83942665) is 6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine.
What is the SMILES notation for 6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine?
The canonical SMILES for 6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine is CCc1ccc(OC)c(CCCC(N)C(C)C)c1.
What is the InChIKey of 6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine?
The InChIKey is YRKYTBVFWGSXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-13-9-10-16(18-4)14(11-13)7-6-8-15(17)12(2)3/h9-12,15H,5-8,17H2,1-4H3.
What are the key properties of 6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine?
6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine is sourced from PubChem (CID 83942665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).