2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine

C15H21Br2N — CID 81473835

IUPAC2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
SMILESCc1cc(Br)c(C(N)CC2CCCCC2)cc1Br
InChIInChI=1S/C15H21Br2N/c1-10-7-14(17)12(9-13(10)16)15(18)8-11-5-3-2-4-6-11/h7,9,11,15H,2-6,8,18H2,1H3
InChIKeyYYANAKIEKDICMD-UHFFFAOYSA-N
MW375.15 g/mol
LogP5.49
Rot. Bonds3

About 2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine

2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine (PubChem CID 81473835) has the molecular formula C15H21Br2N and a molecular weight of 375.15 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
PubChem CID81473835
Molecular FormulaC15H21Br2N
Molecular Weight375.15 g/mol
Exact Mass373.00
IUPAC Name2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
SMILESCc1cc(Br)c(C(N)CC2CCCCC2)cc1Br
InChIInChI=1S/C15H21Br2N/c1-10-7-14(17)12(9-13(10)16)15(18)8-11-5-3-2-4-6-11/h7,9,11,15H,2-6,8,18H2,1H3
InChIKeyYYANAKIEKDICMD-UHFFFAOYSA-N
XLogP5.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.15
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
CID 115847235
1-(4-bromo-2,5-dimethylphenyl)-2-cycloheptylethanol
CID 114458586
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanamine
CID 114027016
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
CID 105056685
1-(2-chloro-4,5-dimethylphenyl)-2-cyclobutylethanamine
CID 103163306
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-dimethylbenzene
CID 103165895
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963
1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethanamine
CID 103163188
1-(5-bromo-2-methoxy-4-methylphenyl)-3-cyclopentylpropan-1-amine
CID 65439927
(1R)-1-(3-bromo-4-methylphenyl)-2-cyclopropylethanamine
CID 130618346

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine (CID 81473835) is 2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine is Cc1cc(Br)c(C(N)CC2CCCCC2)cc1Br.
What is the InChIKey of 2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine?
The InChIKey is YYANAKIEKDICMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2N/c1-10-7-14(17)12(9-13(10)16)15(18)8-11-5-3-2-4-6-11/h7,9,11,15H,2-6,8,18H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine?
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine has a molecular weight of 375.15 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine is sourced from PubChem (CID 81473835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).