1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine

C13H18ClN — CID 13083334

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
SMILESCC(N)CC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H18ClN/c1-10(15)9-13(7-2-8-13)11-3-5-12(14)6-4-11/h3-6,10H,2,7-9,15H2,1H3
InChIKeyHTRVKMSAGGROOK-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.50
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine

1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine (PubChem CID 13083334) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
PubChem CID13083334
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
SMILESCC(N)CC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C13H18ClN/c1-10(15)9-13(7-2-8-13)11-3-5-12(14)6-4-11/h3-6,10H,2,7-9,15H2,1H3
InChIKeyHTRVKMSAGGROOK-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine (CID 13083334) is 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine is CC(N)CC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine?
The InChIKey is HTRVKMSAGGROOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10(15)9-13(7-2-8-13)11-3-5-12(14)6-4-11/h3-6,10H,2,7-9,15H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine?
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine has a molecular weight of 223.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine is sourced from PubChem (CID 13083334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).