N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine

C14H19Cl2N — CID 81017504

IUPACN-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N/c1-2-17-9-12-4-3-10(12)7-11-5-6-13(15)8-14(11)16/h5-6,8,10,12,17H,2-4,7,9H2,1H3
InChIKeyWUHRIXJVNKXNSG-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.17
Rot. Bonds5

About N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine

N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 81017504) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID81017504
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2N/c1-2-17-9-12-4-3-10(12)7-11-5-6-13(15)8-14(11)16/h5-6,8,10,12,17H,2-4,7,9H2,1H3
InChIKeyWUHRIXJVNKXNSG-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81017170
N-[[2-[(2,4-dichlorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81033102
N-[[2-[(4-chloro-2-fluorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 114862740
N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017187
N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033598
N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
CID 81034147
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cycloheptyl]methyl]ethanamine
CID 103042344
N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017088
N-[[2-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017307

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine (CID 81017504) is N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1CCC1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is WUHRIXJVNKXNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-2-17-9-12-4-3-10(12)7-11-5-6-13(15)8-14(11)16/h5-6,8,10,12,17H,2-4,7,9H2,1H3.
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine?
N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 272.22 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81017504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).