[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine

C12H15Cl2N — CID 65194915

IUPAC[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C12H15Cl2N/c13-10-3-2-9(11(14)6-10)7-12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,15H2
InChIKeyZYUWJRQNMBBZBZ-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.66
Rot. Bonds3

About [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine

[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine (PubChem CID 65194915) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
PubChem CID65194915
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine
SMILESNCC1(Cc2ccc(Cl)cc2Cl)CCC1
InChIInChI=1S/C12H15Cl2N/c13-10-3-2-9(11(14)6-10)7-12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,15H2
InChIKeyZYUWJRQNMBBZBZ-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
[1-[(4-chloro-2-fluorophenyl)methyl]cycloheptyl]methanamine
CID 114861566
1-[[1-(bromomethyl)cyclohexyl]methyl]-2,4-dichlorobenzene
CID 66051088
1-[1-[(2,4-dichlorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 55194513
[1-[(2,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 65194577
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 115363288
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
[1-[(5-bromo-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 65194695
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(5-chloro-2-fluorophenyl)methanamine
CID 115245810
[1-[(3-chloro-4-pyridinyl)methyl]cyclooctyl]methanamine
CID 80603981
N-[[4-[(2,4-dichlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 55131600
N-[[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026019

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine (CID 65194915) is [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine is NCC1(Cc2ccc(Cl)cc2Cl)CCC1.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine?
The InChIKey is ZYUWJRQNMBBZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c13-10-3-2-9(11(14)6-10)7-12(8-15)4-1-5-12/h2-3,6H,1,4-5,7-8,15H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine?
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanamine has a molecular weight of 244.16 g/mol, XLogP of 3.66, 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)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 65194915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).