(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine

C13H18ClN — CID 115483752

IUPAC(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
SMILESCc1cc(Cl)c(C(N)C2CCC2)cc1C
InChIInChI=1S/C13H18ClN/c1-8-6-11(12(14)7-9(8)2)13(15)10-4-3-5-10/h6-7,10,13H,3-5,15H2,1-2H3
InChIKeyWABYCYPNGOWASJ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.76
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine

(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine (PubChem CID 115483752) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
PubChem CID115483752
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
SMILESCc1cc(Cl)c(C(N)C2CCC2)cc1C
InChIInChI=1S/C13H18ClN/c1-8-6-11(12(14)7-9(8)2)13(15)10-4-3-5-10/h6-7,10,13H,3-5,15H2,1-2H3
InChIKeyWABYCYPNGOWASJ-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
CID 113319426
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
CID 103163306
(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82292642
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892808
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine
CID 83154402
(S)-(4-chloro-2-methylphenyl)-cyclopentylmethanamine
CID 131595762
(5-bromo-2-chlorophenyl)-cyclobutylmethanamine
CID 112631034
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(R)-(4-bromo-2-chlorophenyl)-cyclobutylmethanamine;hydrochloride
CID 171204069

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine (CID 115483752) is (2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine is Cc1cc(Cl)c(C(N)C2CCC2)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine?
The InChIKey is WABYCYPNGOWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-8-6-11(12(14)7-9(8)2)13(15)10-4-3-5-10/h6-7,10,13H,3-5,15H2,1-2H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine?
(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine is sourced from PubChem (CID 115483752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).