1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine

C13H17Cl2N — CID 65321437

IUPAC1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C1CCC1
InChIInChI=1S/C13H17Cl2N/c1-16-13(9-3-2-4-9)8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,2-4,8H2,1H3
InChIKeyVUGYFZABWFECMH-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.92
Rot. Bonds4

About 1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine

1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine (PubChem CID 65321437) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
PubChem CID65321437
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C1CCC1
InChIInChI=1S/C13H17Cl2N/c1-16-13(9-3-2-4-9)8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,2-4,8H2,1H3
InChIKeyVUGYFZABWFECMH-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115862958
[1-cyclohexyl-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105201940
2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414577
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
2-cyclopentyl-3-(2,5-dichlorophenyl)propan-1-amine
CID 112569673
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 112653742
(1S)-1-cyclohexyl-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81384496
2-(2,5-dichlorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105151512

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine (CID 65321437) is 1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1Cl)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine?
The InChIKey is VUGYFZABWFECMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-16-13(9-3-2-4-9)8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,2-4,8H2,1H3.
What are the key properties of 1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine?
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine has a molecular weight of 258.19 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 65321437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).