1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine

C13H18ClN — CID 117321173

IUPAC1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine
SMILESCC(C)c1cc(Cl)cc(C2(N)CCC2)c1
InChIInChI=1S/C13H18ClN/c1-9(2)10-6-11(8-12(14)7-10)13(15)4-3-5-13/h6-9H,3-5,15H2,1-2H3
InChIKeyKFXLMOQFTHKURF-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.80
Rot. Bonds2

About 1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine

1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine (PubChem CID 117321173) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine
PubChem CID117321173
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine
SMILESCC(C)c1cc(Cl)cc(C2(N)CCC2)c1
InChIInChI=1S/C13H18ClN/c1-9(2)10-6-11(8-12(14)7-10)13(15)4-3-5-13/h6-9H,3-5,15H2,1-2H3
InChIKeyKFXLMOQFTHKURF-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine (CID 117321173) is 1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine is CC(C)c1cc(Cl)cc(C2(N)CCC2)c1.
What is the InChIKey of 1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine?
The InChIKey is KFXLMOQFTHKURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9(2)10-6-11(8-12(14)7-10)13(15)4-3-5-13/h6-9H,3-5,15H2,1-2H3.
What are the key properties of 1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine?
1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-propan-2-ylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117321173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).