3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine

C14H20ClNO — CID 66357748

IUPAC3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCc1cc(Cl)cc(C)c1OC1CC(N)C1(C)C
InChIInChI=1S/C14H20ClNO/c1-8-5-10(15)6-9(2)13(8)17-12-7-11(16)14(12,3)4/h5-6,11-12H,7,16H2,1-4H3
InChIKeyHJTQTJCJDKOQSS-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.46
Rot. Bonds2

About 3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine

3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine (PubChem CID 66357748) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine
PubChem CID66357748
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine
SMILESCc1cc(Cl)cc(C)c1OC1CC(N)C1(C)C
InChIInChI=1S/C14H20ClNO/c1-8-5-10(15)6-9(2)13(8)17-12-7-11(16)14(12,3)4/h5-6,11-12H,7,16H2,1-4H3
InChIKeyHJTQTJCJDKOQSS-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine (CID 66357748) is 3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine is Cc1cc(Cl)cc(C)c1OC1CC(N)C1(C)C.
What is the InChIKey of 3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is HJTQTJCJDKOQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-8-5-10(15)6-9(2)13(8)17-12-7-11(16)14(12,3)4/h5-6,11-12H,7,16H2,1-4H3.
What are the key properties of 3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine?
3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,6-dimethylphenoxy)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66357748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).