3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine

C15H23N — CID 81416391

IUPAC3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1c1ccc(C)c(C)c1
InChIInChI=1S/C15H23N/c1-5-15(4)13(9-14(15)16)12-7-6-10(2)11(3)8-12/h6-8,13-14H,5,9,16H2,1-4H3
InChIKeyUZWWAGZJEADIBG-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.53
Rot. Bonds2

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

3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 81416391) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID81416391
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1c1ccc(C)c(C)c1
InChIInChI=1S/C15H23N/c1-5-15(4)13(9-14(15)16)12-7-6-10(2)11(3)8-12/h6-8,13-14H,5,9,16H2,1-4H3
InChIKeyUZWWAGZJEADIBG-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine (CID 81416391) is 3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine is CCC1(C)C(N)CC1c1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is UZWWAGZJEADIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-15(4)13(9-14(15)16)12-7-6-10(2)11(3)8-12/h6-8,13-14H,5,9,16H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine?
3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 81416391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).