1-(3,4-diethylphenyl)cyclobutan-1-amine

C14H21N — CID 117292089

IUPAC1-(3,4-diethylphenyl)cyclobutan-1-amine
SMILESCCc1ccc(C2(N)CCC2)cc1CC
InChIInChI=1S/C14H21N/c1-3-11-6-7-13(10-12(11)4-2)14(15)8-5-9-14/h6-7,10H,3-5,8-9,15H2,1-2H3
InChIKeyXETBRFYGEBLQEA-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.15
Rot. Bonds3

About 1-(3,4-diethylphenyl)cyclobutan-1-amine

1-(3,4-diethylphenyl)cyclobutan-1-amine (PubChem CID 117292089) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)cyclobutan-1-amine
PubChem CID117292089
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(3,4-diethylphenyl)cyclobutan-1-amine
SMILESCCc1ccc(C2(N)CCC2)cc1CC
InChIInChI=1S/C14H21N/c1-3-11-6-7-13(10-12(11)4-2)14(15)8-5-9-14/h6-7,10H,3-5,8-9,15H2,1-2H3
InChIKeyXETBRFYGEBLQEA-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethyl-4-methoxyphenyl)cyclopropan-1-amine
CID 82281442
1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
CID 117336681
1-(2-ethyl-4-pyridinyl)cyclopentan-1-amine
CID 126991816
1-(4-ethylphenyl)cycloheptan-1-amine
CID 62544052
1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456
1-[1-(3,4-diethylphenyl)cyclopropyl]ethanol
CID 67579227
5-(1-aminocyclohexyl)-2-(hydroxymethyl)phenol
CID 117316467
1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane
CID 143738725
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(5-bromo-2-ethylphenyl)cyclohexan-1-amine
CID 84812388
ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
1-(2-ethyl-4-pyridinyl)cyclopropan-1-amine
CID 126992100

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3,4-diethylphenyl)cyclobutan-1-amine (CID 117292089) is 1-(3,4-diethylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3,4-diethylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3,4-diethylphenyl)cyclobutan-1-amine is CCc1ccc(C2(N)CCC2)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)cyclobutan-1-amine?
The InChIKey is XETBRFYGEBLQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-11-6-7-13(10-12(11)4-2)14(15)8-5-9-14/h6-7,10H,3-5,8-9,15H2,1-2H3.
What are the key properties of 1-(3,4-diethylphenyl)cyclobutan-1-amine?
1-(3,4-diethylphenyl)cyclobutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117292089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).