3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine

C11H13Cl2NO — CID 107307010

IUPAC3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine
SMILESNC1CC(OCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C11H13Cl2NO/c12-10-3-1-2-7(11(10)13)6-15-9-4-8(14)5-9/h1-3,8-9H,4-6,14H2
InChIKeyLVJWGZOLJKVKIJ-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.00
Rot. Bonds3

About 3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine

3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine (PubChem CID 107307010) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine
PubChem CID107307010
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine
SMILESNC1CC(OCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C11H13Cl2NO/c12-10-3-1-2-7(11(10)13)6-15-9-4-8(14)5-9/h1-3,8-9H,4-6,14H2
InChIKeyLVJWGZOLJKVKIJ-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,3-dichlorophenyl)methoxy]cyclohexan-1-amine
CID 107306212
3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986
methyl 4-[(2,3-dichlorophenyl)methoxy]cyclohexane-1-carboxylate
CID 107305584
8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232920
3-[(3-chlorothiophen-2-yl)methoxy]cyclobutan-1-amine
CID 130534382
(3aS,6aR)-5-[(2-chlorophenyl)methoxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 138562996
(2R)-2-[(2,3-dichlorophenyl)methoxymethyl]oxirane
CID 97180060
3-(2-chlorophenoxy)cyclobutan-1-amine
CID 66356902
3-[(3-chloro-4-pyridinyl)methoxy]cyclopentan-1-amine
CID 79465484
4-N-[(2,3-dichlorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79122016
4-[(2-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807392
2-[(2,3-dichlorophenyl)methyl]cyclopentan-1-amine
CID 107307055

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine?
The IUPAC name of 3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine (CID 107307010) is 3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine is NC1CC(OCc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine?
The InChIKey is LVJWGZOLJKVKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-10-3-1-2-7(11(10)13)6-15-9-4-8(14)5-9/h1-3,8-9H,4-6,14H2.
What are the key properties of 3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine?
3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine has a molecular weight of 246.14 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methoxy]cyclobutan-1-amine is sourced from PubChem (CID 107307010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).