3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine

C12H16ClNO — CID 115035322

IUPAC3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine
SMILESCOCC1(c2ccccc2Cl)CC(N)C1
InChIInChI=1S/C12H16ClNO/c1-15-8-12(6-9(14)7-12)10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3
InChIKeyYKSPMRGPRFMRLR-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.35
Rot. Bonds3

About 3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine

3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine (PubChem CID 115035322) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine
PubChem CID115035322
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine
SMILESCOCC1(c2ccccc2Cl)CC(N)C1
InChIInChI=1S/C12H16ClNO/c1-15-8-12(6-9(14)7-12)10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3
InChIKeyYKSPMRGPRFMRLR-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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Related Compounds

3-(3-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine
CID 115035321
2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271928
[1-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 46736468
[1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine
CID 65017325
N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998152
1-(2-chlorophenyl)-3-ethylcyclopentan-1-amine
CID 64514342
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]cyclopropanamine
CID 65013814
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65013812
4-[2-[1-(methoxymethyl)cyclopropyl]phenyl]butan-1-amine
CID 117115655
4-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-2-methylpyrrolidine
CID 117270706
1-(2-chlorophenyl)-3-fluorocyclobutan-1-amine
CID 105452538
2-amino-N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120993759

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine (CID 115035322) is 3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine is COCC1(c2ccccc2Cl)CC(N)C1.
What is the InChIKey of 3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine?
The InChIKey is YKSPMRGPRFMRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-15-8-12(6-9(14)7-12)10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine?
3-(2-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-(2-chlorophenyl)-3-(methoxymethyl)cyclobutan-1-amine is sourced from PubChem (CID 115035322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).