3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine

C12H16ClNO — CID 115035321

IUPAC3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine
SMILESCOCC1(c2cccc(Cl)c2)CC(N)C1
InChIInChI=1S/C12H16ClNO/c1-15-8-12(6-11(14)7-12)9-3-2-4-10(13)5-9/h2-5,11H,6-8,14H2,1H3
InChIKeyGLSKPTZNUVJGPB-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.35
Rot. Bonds3

About 3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine

3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine (PubChem CID 115035321) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine
PubChem CID115035321
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine
SMILESCOCC1(c2cccc(Cl)c2)CC(N)C1
InChIInChI=1S/C12H16ClNO/c1-15-8-12(6-11(14)7-12)9-3-2-4-10(13)5-9/h2-5,11H,6-8,14H2,1H3
InChIKeyGLSKPTZNUVJGPB-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine (CID 115035321) is 3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine is COCC1(c2cccc(Cl)c2)CC(N)C1.
What is the InChIKey of 3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine?
The InChIKey is GLSKPTZNUVJGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-8-12(6-11(14)7-12)9-3-2-4-10(13)5-9/h2-5,11H,6-8,14H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine?
3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine is sourced from PubChem (CID 115035321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).