1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine

C16H27NO — CID 105174695

IUPAC1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)Cc1c(C)cccc1C
InChIInChI=1S/C16H27NO/c1-5-17-15(10-11-18-6-2)12-16-13(3)8-7-9-14(16)4/h7-9,15,17H,5-6,10-12H2,1-4H3
InChIKeyAHHOEBHULRZIJP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.25
Rot. Bonds8

About 1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine

1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine (PubChem CID 105174695) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine
PubChem CID105174695
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine
SMILESCCNC(CCOCC)Cc1c(C)cccc1C
InChIInChI=1S/C16H27NO/c1-5-17-15(10-11-18-6-2)12-16-13(3)8-7-9-14(16)4/h7-9,15,17H,5-6,10-12H2,1-4H3
InChIKeyAHHOEBHULRZIJP-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-ethyl-1-(2-methylphenyl)butan-2-amine
CID 55090548
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
1-(2,6-dimethylphenyl)-N-ethyl-4-pyridin-2-ylbutan-2-amine
CID 105174638
1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine
CID 116660854
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675
1-(2,6-dimethylphenyl)-N-propylheptan-2-amine
CID 105024635
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
1-(5-bromothiophen-2-yl)-4-ethoxy-N-ethylbutan-2-amine
CID 105134900
4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 105175167
1-(3,4-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 62604166

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine (CID 105174695) is 1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine is CCNC(CCOCC)Cc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine?
The InChIKey is AHHOEBHULRZIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-17-15(10-11-18-6-2)12-16-13(3)8-7-9-14(16)4/h7-9,15,17H,5-6,10-12H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine?
1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4-ethoxy-N-ethylbutan-2-amine is sourced from PubChem (CID 105174695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).