1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine

C14H20ClN — CID 13083249

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
SMILESCCCC(N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H20ClN/c1-2-4-13(16)14(9-3-10-14)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10,16H2,1H3
InChIKeyHHCFTMXZPQIOCS-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.89
Rot. Bonds4

About 1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine

1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine (PubChem CID 13083249) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
PubChem CID13083249
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
SMILESCCCC(N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H20ClN/c1-2-4-13(16)14(9-3-10-14)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10,16H2,1H3
InChIKeyHHCFTMXZPQIOCS-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.89
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]butan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine (CID 13083249) is 1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine is CCCC(N)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine?
The InChIKey is HHCFTMXZPQIOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-2-4-13(16)14(9-3-10-14)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10,16H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine?
1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 3.89, 4 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]butan-1-amine is sourced from PubChem (CID 13083249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).