3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine

C12H16ClNO2 — CID 104674523

IUPAC3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine
SMILESCOC1C(N)CC1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C12H16ClNO2/c1-7-5-8(3-4-9(7)13)16-11-6-10(14)12(11)15-2/h3-5,10-12H,6,14H2,1-2H3
InChIKeyLQJKKKSANPMHSL-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.14
Rot. Bonds3

About 3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine

3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine (PubChem CID 104674523) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine
PubChem CID104674523
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine
SMILESCOC1C(N)CC1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C12H16ClNO2/c1-7-5-8(3-4-9(7)13)16-11-6-10(14)12(11)15-2/h3-5,10-12H,6,14H2,1-2H3
InChIKeyLQJKKKSANPMHSL-UHFFFAOYSA-N
XLogP2.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine?
The IUPAC name of 3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine (CID 104674523) is 3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine?
The canonical SMILES for 3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine is COC1C(N)CC1Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine?
The InChIKey is LQJKKKSANPMHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7-5-8(3-4-9(7)13)16-11-6-10(14)12(11)15-2/h3-5,10-12H,6,14H2,1-2H3.
What are the key properties of 3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine?
3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine has a molecular weight of 241.72 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 104674523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).