2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine

C13H18ClN — CID 106867704

IUPAC2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
SMILESCc1ccc(CC(N)C2CCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN/c1-9-5-6-11(12(14)7-9)8-13(15)10-3-2-4-10/h5-7,10,13H,2-4,8,15H2,1H3
InChIKeyKVWNFJMMFQKYEE-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine

2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine (PubChem CID 106867704) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
PubChem CID106867704
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine
SMILESCc1ccc(CC(N)C2CCC2)c(Cl)c1
InChIInChI=1S/C13H18ClN/c1-9-5-6-11(12(14)7-9)8-13(15)10-3-2-4-10/h5-7,10,13H,2-4,8,15H2,1H3
InChIKeyKVWNFJMMFQKYEE-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-cyclopentylethanamine
CID 106866447
2-(2-chloro-4-methylphenyl)-1-cyclohexylethanamine
CID 106866830
2-(2-chloro-4-methylphenyl)-1-cyclobutyl-N-methylethanamine
CID 106866254
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
CID 106868280
2-(2-chloro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 106867239
1-cyclopropyl-2-(2,4-dichlorophenyl)ethanamine
CID 62602404
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
1-chloro-3-(2-chloro-4-methylphenyl)propan-2-amine;hydrochloride
CID 162376791

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine (CID 106867704) is 2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine is Cc1ccc(CC(N)C2CCC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine?
The InChIKey is KVWNFJMMFQKYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9-5-6-11(12(14)7-9)8-13(15)10-3-2-4-10/h5-7,10,13H,2-4,8,15H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine?
2-(2-chloro-4-methylphenyl)-1-cyclobutylethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.32, 3 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-cyclobutylethanamine is sourced from PubChem (CID 106867704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).