N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine

C13H18ClN — CID 81018227

IUPACN-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1c1ccccc1Cl
InChIInChI=1S/C13H18ClN/c1-2-15-9-10-7-8-11(10)12-5-3-4-6-13(12)14/h3-6,10-11,15H,2,7-9H2,1H3
InChIKeyMVWSMSHBAIKYEU-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.44
Rot. Bonds4

About N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine

N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine (PubChem CID 81018227) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine
PubChem CID81018227
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1c1ccccc1Cl
InChIInChI=1S/C13H18ClN/c1-2-15-9-10-7-8-11(10)12-5-3-4-6-13(12)14/h3-6,10-11,15H,2,7-9H2,1H3
InChIKeyMVWSMSHBAIKYEU-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
CID 81025276
N-[(2-isoquinolin-4-ylcyclobutyl)methyl]ethanamine
CID 81016883
N-[(2-naphthalen-1-ylcyclohexyl)methyl]ethanamine
CID 81028125
N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023958
N-[(2-quinolin-8-ylcyclobutyl)methyl]ethanamine
CID 81223017
N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 79367958
N-[[2-(2,3-dichlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81026756
N-[[2-[2-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
CID 81032598
1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81029186
N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81017506
N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81025338

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine (CID 81018227) is N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine is CCNCC1CCC1c1ccccc1Cl.
What is the InChIKey of N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine?
The InChIKey is MVWSMSHBAIKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-2-15-9-10-7-8-11(10)12-5-3-4-6-13(12)14/h3-6,10-11,15H,2,7-9H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine?
N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81018227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).