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

C14H19Cl2N — CID 65017030

IUPAC[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine
SMILESCC(C)C1CC(CN)(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-9(2)10-6-14(7-10,8-17)12-4-3-11(15)5-13(12)16/h3-5,9-10H,6-8,17H2,1-2H3
InChIKeyBFBSEZLIDMOXMG-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.26
Rot. Bonds3

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

[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine (PubChem CID 65017030) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine
PubChem CID65017030
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine
SMILESCC(C)C1CC(CN)(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c1-9(2)10-6-14(7-10,8-17)12-4-3-11(15)5-13(12)16/h3-5,9-10H,6-8,17H2,1-2H3
InChIKeyBFBSEZLIDMOXMG-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.26
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-propan-2-ylcyclobutyl]methanamine?
The IUPAC name of [1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine (CID 65017030) is [1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine.
What is the SMILES notation for [1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine?
The canonical SMILES for [1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine is CC(C)C1CC(CN)(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of [1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine?
The InChIKey is BFBSEZLIDMOXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-9(2)10-6-14(7-10,8-17)12-4-3-11(15)5-13(12)16/h3-5,9-10H,6-8,17H2,1-2H3.
What are the key properties of [1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine?
[1-(2,4-dichlorophenyl)-3-propan-2-ylcyclobutyl]methanamine has a molecular weight of 272.22 g/mol, XLogP of 4.26, 3 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-propan-2-ylcyclobutyl]methanamine is sourced from PubChem (CID 65017030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).