1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine

C15H22ClN — CID 65013757

IUPAC1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine
SMILESCCCC1CC(CNC)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H22ClN/c1-3-4-12-9-15(10-12,11-17-2)13-5-7-14(16)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyREZQHAIYQXWJCK-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.01
Rot. Bonds5

About 1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine

1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine (PubChem CID 65013757) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine
PubChem CID65013757
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine
SMILESCCCC1CC(CNC)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H22ClN/c1-3-4-12-9-15(10-12,11-17-2)13-5-7-14(16)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyREZQHAIYQXWJCK-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.01
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)-3-propylcyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine (CID 65013757) is 1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine is CCCC1CC(CNC)(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine?
The InChIKey is REZQHAIYQXWJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-4-12-9-15(10-12,11-17-2)13-5-7-14(16)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine?
1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-propylcyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 65013757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).