3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine

C12H16ClNO2 — CID 104674447

IUPAC3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine
SMILESCOC1C(N)CC1OCc1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-15-12-10(14)6-11(12)16-7-8-4-2-3-5-9(8)13/h2-5,10-12H,6-7,14H2,1H3
InChIKeyVYWMSDXGQPHRKM-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.97
Rot. Bonds4

About 3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine

3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine (PubChem CID 104674447) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine
PubChem CID104674447
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine
SMILESCOC1C(N)CC1OCc1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-15-12-10(14)6-11(12)16-7-8-4-2-3-5-9(8)13/h2-5,10-12H,6-7,14H2,1H3
InChIKeyVYWMSDXGQPHRKM-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine?
The IUPAC name of 3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine (CID 104674447) is 3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine is COC1C(N)CC1OCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine?
The InChIKey is VYWMSDXGQPHRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-12-10(14)6-11(12)16-7-8-4-2-3-5-9(8)13/h2-5,10-12H,6-7,14H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine?
3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine has a molecular weight of 241.72 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methoxy]-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 104674447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).