3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine

C16H25N — CID 81418024

IUPAC3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(C)cc2C)C1(C)C
InChIInChI=1S/C16H25N/c1-6-17-15-10-14(16(15,4)5)13-8-7-11(2)9-12(13)3/h7-9,14-15,17H,6,10H2,1-5H3
InChIKeyZLAOXCXJCZRADF-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.80
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine

3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 81418024) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
PubChem CID81418024
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(c2ccc(C)cc2C)C1(C)C
InChIInChI=1S/C16H25N/c1-6-17-15-10-14(16(15,4)5)13-8-7-11(2)9-12(13)3/h7-9,14-15,17H,6,10H2,1-5H3
InChIKeyZLAOXCXJCZRADF-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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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine (CID 81418024) is 3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine is CCNC1CC(c2ccc(C)cc2C)C1(C)C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is ZLAOXCXJCZRADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-6-17-15-10-14(16(15,4)5)13-8-7-11(2)9-12(13)3/h7-9,14-15,17H,6,10H2,1-5H3.
What are the key properties of 3-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine?
3-(2,4-dimethylphenyl)-N-ethyl-2,2-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-(2,4-dimethylphenyl)-N-ethyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81418024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).