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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Related Compounds

2-[5-Chloro-2-(2-methylpropoxy)phenyl]cyclopropan-1-amine
CID 56659548
[(1R,2R)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733759
[(1S,2S)-2-(5-chloro-2-ethoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733761
[(1S,2S)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733765
[(1S,2S)-2-[5-chloro-2-(2-methylprop-2-enoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 118733801
Phenethylamine, beta-(sec-butyl)-5-chloro-2-ethoxy-
CID 207071
3-(2-tert-butyl-4-chlorophenoxy)-N-(3-methoxypropyl)-1-propanamine
CID 2298353
(S)-2-(4-chloro-2,6-dimethylphenoxy)-1-phenylethanamine
CID 11150055
(2R)-3-(4-chloro-2,6-dimethylphenoxy)-2-methylpropan-1-amine
CID 44593042
(2S)-3-(4-chloro-2,6-dimethylphenoxy)-2-methylpropan-1-amine
CID 44593043
[(1R,2R)-2-(5-chloro-2-propoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 118733763
[(1R,2R)-2-[5-chloro-2-(2-methylprop-2-enoxy)phenyl]cyclopropyl]methanamine;hydrochloride
CID 118733799

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).