2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine

C14H20ClN — CID 106866254

IUPAC2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)C1CCC1
InChIInChI=1S/C14H20ClN/c1-10-6-7-12(13(15)8-10)9-14(16-2)11-4-3-5-11/h6-8,11,14,16H,3-5,9H2,1-2H3
InChIKeyJCEGDQRMEKKZGU-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.58
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine

2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine (PubChem CID 106866254) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
PubChem CID106866254
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
SMILESCNC(Cc1ccc(C)cc1Cl)C1CCC1
InChIInChI=1S/C14H20ClN/c1-10-6-7-12(13(15)8-10)9-14(16-2)11-4-3-5-11/h6-8,11,14,16H,3-5,9H2,1-2H3
InChIKeyJCEGDQRMEKKZGU-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62539513
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
CID 106867704
2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 106866952
1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64986574
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
[2-(2-chloro-4-methylphenyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 106868666
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
[2-(4-bromo-2-chlorophenyl)-1-cyclobutylethyl]hydrazine
CID 105224466

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine (CID 106866254) is 2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine is CNC(Cc1ccc(C)cc1Cl)C1CCC1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine?
The InChIKey is JCEGDQRMEKKZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10-6-7-12(13(15)8-10)9-14(16-2)11-4-3-5-11/h6-8,11,14,16H,3-5,9H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine?
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine has a molecular weight of 237.77 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine is sourced from PubChem (CID 106866254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).