3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine

C16H25N — CID 81416793

IUPAC3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1c1cc(C)cc(C)c1
InChIInChI=1S/C16H25N/c1-6-16(4)14(10-15(16)17-5)13-8-11(2)7-12(3)9-13/h7-9,14-15,17H,6,10H2,1-5H3
InChIKeyXKLFNWJVOBURBG-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.80
Rot. Bonds3

About 3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 81416793) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID81416793
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1c1cc(C)cc(C)c1
InChIInChI=1S/C16H25N/c1-6-16(4)14(10-15(16)17-5)13-8-11(2)7-12(3)9-13/h7-9,14-15,17H,6,10H2,1-5H3
InChIKeyXKLFNWJVOBURBG-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-ethyl-2-methyl-3-(methylamino)cyclobutyl]benzonitrile
CID 81417529
3-(2,4-dimethoxyphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81418351
3-(5-bromofuran-2-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 104654211
2-ethyl-3-(5-fluoro-2-pyridinyl)-N,2-dimethylcyclobutan-1-amine
CID 83128332
3-(3,5-dimethylphenyl)-2,2-diethylcyclobutan-1-amine
CID 81415787
N,2-diethyl-3-(4-fluoro-3-methylphenyl)-2-methylcyclobutan-1-amine
CID 81417219
3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357069
3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 81417106
2-ethyl-2-methyl-3-phenyl-N-propylcyclobutan-1-amine
CID 81417330
2,2-diethyl-3-(4-fluoro-3-methylphenyl)-N-methylcyclobutan-1-amine
CID 81417750
2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357331
2-ethyl-3-[2-(4-fluorophenyl)propan-2-yl]-N,2-dimethylcyclobutan-1-amine
CID 81417321

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 81416793) is 3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1c1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is XKLFNWJVOBURBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-6-16(4)14(10-15(16)17-5)13-8-11(2)7-12(3)9-13/h7-9,14-15,17H,6,10H2,1-5H3.
What are the key properties of 3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2-ethyl-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81416793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).