3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine

C11H14ClNO — CID 66350739

IUPAC3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine
SMILESCc1ccc(Cl)cc1OC1CC(N)C1
InChIInChI=1S/C11H14ClNO/c1-7-2-3-8(12)4-11(7)14-10-5-9(13)6-10/h2-4,9-10H,5-6,13H2,1H3
InChIKeySZGXZDYXIQXHRI-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.52
Rot. Bonds2

About 3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine

3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine (PubChem CID 66350739) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine
PubChem CID66350739
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine
SMILESCc1ccc(Cl)cc1OC1CC(N)C1
InChIInChI=1S/C11H14ClNO/c1-7-2-3-8(12)4-11(7)14-10-5-9(13)6-10/h2-4,9-10H,5-6,13H2,1H3
InChIKeySZGXZDYXIQXHRI-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine (CID 66350739) is 3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine is Cc1ccc(Cl)cc1OC1CC(N)C1.
What is the InChIKey of 3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine?
The InChIKey is SZGXZDYXIQXHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-2-3-8(12)4-11(7)14-10-5-9(13)6-10/h2-4,9-10H,5-6,13H2,1H3.
What are the key properties of 3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine?
3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66350739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).