1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine

C14H20ClN — CID 103163306

IUPAC1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
SMILESCc1cc(Cl)c(C(N)CC2CCC2)cc1C
InChIInChI=1S/C14H20ClN/c1-9-6-12(13(15)7-10(9)2)14(16)8-11-4-3-5-11/h6-7,11,14H,3-5,8,16H2,1-2H3
InChIKeyUDGZQEVIAGCAJG-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.15
Rot. Bonds3

About 1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine

1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine (PubChem CID 103163306) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
PubChem CID103163306
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
SMILESCc1cc(Cl)c(C(N)CC2CCC2)cc1C
InChIInChI=1S/C14H20ClN/c1-9-6-12(13(15)7-10(9)2)14(16)8-11-4-3-5-11/h6-7,11,14H,3-5,8,16H2,1-2H3
InChIKeyUDGZQEVIAGCAJG-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
CID 115483752
1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine
CID 107476113
1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
CID 103162998
(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
CID 113319426
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyclopropylethanamine
CID 55031996
1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine
CID 83154402
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-cyclobutylethanamine
CID 103162683
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
CID 103169066
1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
CID 103163188

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine (CID 103163306) is 1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine is Cc1cc(Cl)c(C(N)CC2CCC2)cc1C.
What is the InChIKey of 1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine?
The InChIKey is UDGZQEVIAGCAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-9-6-12(13(15)7-10(9)2)14(16)8-11-4-3-5-11/h6-7,11,14H,3-5,8,16H2,1-2H3.
What are the key properties of 1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine?
1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine has a molecular weight of 237.77 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine is sourced from PubChem (CID 103163306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).