[1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine

C14H19Cl2N — CID 65013516

IUPAC[1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine
SMILESCCCC1CC(CN)(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-2-3-10-7-14(8-10,9-17)12-5-4-11(15)6-13(12)16/h4-6,10H,2-3,7-9,17H2,1H3
InChIKeyXFDDWFCCAYXSDR-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.40
Rot. Bonds4

About [1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine

[1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine (PubChem CID 65013516) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine
PubChem CID65013516
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name[1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine
SMILESCCCC1CC(CN)(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-2-3-10-7-14(8-10,9-17)12-5-4-11(15)6-13(12)16/h4-6,10H,2-3,7-9,17H2,1H3
InChIKeyXFDDWFCCAYXSDR-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine?
The IUPAC name of [1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine (CID 65013516) is [1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine.
What is the SMILES notation for [1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine?
The canonical SMILES for [1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine is CCCC1CC(CN)(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of [1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine?
The InChIKey is XFDDWFCCAYXSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-2-3-10-7-14(8-10,9-17)12-5-4-11(15)6-13(12)16/h4-6,10H,2-3,7-9,17H2,1H3.
What are the key properties of [1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine?
[1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine has a molecular weight of 272.22 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)-3-propylcyclobutyl]methanamine is sourced from PubChem (CID 65013516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).