2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine

C13H18ClNO — CID 105187467

IUPAC2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)C1CCC1
InChIInChI=1S/C13H18ClNO/c1-9(13(15)10-4-2-5-10)16-12-7-3-6-11(14)8-12/h3,6-10,13H,2,4-5,15H2,1H3
InChIKeyJDXKZWZJPCGXCZ-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine

2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine (PubChem CID 105187467) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
PubChem CID105187467
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
SMILESCC(Oc1cccc(Cl)c1)C(N)C1CCC1
InChIInChI=1S/C13H18ClNO/c1-9(13(15)10-4-2-5-10)16-12-7-3-6-11(14)8-12/h3,6-10,13H,2,4-5,15H2,1H3
InChIKeyJDXKZWZJPCGXCZ-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[3-(3-chlorophenoxy)-1-cyclopropylbutan-2-yl]hydrazine
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CID 105146009
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CID 105092349
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
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2-(3-chlorophenoxy)-5-methyloctan-3-amine
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2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
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CID 7722254

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine (CID 105187467) is 2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine is CC(Oc1cccc(Cl)c1)C(N)C1CCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine?
The InChIKey is JDXKZWZJPCGXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9(13(15)10-4-2-5-10)16-12-7-3-6-11(14)8-12/h3,6-10,13H,2,4-5,15H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine?
2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine is sourced from PubChem (CID 105187467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).