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

C15H22ClN — CID 113319426

IUPAC(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
SMILESCc1cc(Cl)c(C(N)C2CCCCC2)cc1C
InChIInChI=1S/C15H22ClN/c1-10-8-13(14(16)9-11(10)2)15(17)12-6-4-3-5-7-12/h8-9,12,15H,3-7,17H2,1-2H3
InChIKeyVYDIMGCMWGTIQZ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.54
Rot. Bonds2

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

(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine (PubChem CID 113319426) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
PubChem CID113319426
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
SMILESCc1cc(Cl)c(C(N)C2CCCCC2)cc1C
InChIInChI=1S/C15H22ClN/c1-10-8-13(14(16)9-11(10)2)15(17)12-6-4-3-5-7-12/h8-9,12,15H,3-7,17H2,1-2H3
InChIKeyVYDIMGCMWGTIQZ-UHFFFAOYSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
CID 115483752
(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
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892808
(S)-(2-chloro-4-methylphenyl)-cyclobutylmethanamine
CID 99737681
cyclohexyl-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724300
1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
CID 103163306
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine
CID 43152791
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one
CID 82174514

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine (CID 113319426) is (2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine is Cc1cc(Cl)c(C(N)C2CCCCC2)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine?
The InChIKey is VYDIMGCMWGTIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-10-8-13(14(16)9-11(10)2)15(17)12-6-4-3-5-7-12/h8-9,12,15H,3-7,17H2,1-2H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine?
(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.54, 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)-cyclohexylmethanamine is sourced from PubChem (CID 113319426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).