2-bromo-N-(1-cyclohexylethyl)-5-methylaniline

C15H22BrN — CID 82762032

IUPAC2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
SMILESCc1ccc(Br)c(NC(C)C2CCCCC2)c1
InChIInChI=1S/C15H22BrN/c1-11-8-9-14(16)15(10-11)17-12(2)13-6-4-3-5-7-13/h8-10,12-13,17H,3-7H2,1-2H3
InChIKeySPXXXWMBPOXRNM-UHFFFAOYSA-N
MW296.25 g/mol
LogP5.14
Rot. Bonds3

About 2-bromo-N-(1-cyclohexylethyl)-5-methylaniline

2-bromo-N-(1-cyclohexylethyl)-5-methylaniline (PubChem CID 82762032) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclohexylethyl)-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
PubChem CID82762032
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name2-bromo-N-(1-cyclohexylethyl)-5-methylaniline
SMILESCc1ccc(Br)c(NC(C)C2CCCCC2)c1
InChIInChI=1S/C15H22BrN/c1-11-8-9-14(16)15(10-11)17-12(2)13-6-4-3-5-7-13/h8-10,12-13,17H,3-7H2,1-2H3
InChIKeySPXXXWMBPOXRNM-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.25
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-(1-cyclohexylethyl)aniline
CID 43789277
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 82761319
2,6-dibromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55199408
2-N-(2-bromo-5-methylphenyl)-3-cyclohexylpropane-1,2-diamine
CID 82761182
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine
CID 104777077
3-bromo-N-(1-cyclohexylethyl)-4-methylaniline
CID 55192209
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782
5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43790096
4-bromo-2-N-(1-cyclohexylethyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43791142

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclohexylethyl)-5-methylaniline?
The IUPAC name of 2-bromo-N-(1-cyclohexylethyl)-5-methylaniline (CID 82762032) is 2-bromo-N-(1-cyclohexylethyl)-5-methylaniline.
What is the SMILES notation for 2-bromo-N-(1-cyclohexylethyl)-5-methylaniline?
The canonical SMILES for 2-bromo-N-(1-cyclohexylethyl)-5-methylaniline is Cc1ccc(Br)c(NC(C)C2CCCCC2)c1.
What is the InChIKey of 2-bromo-N-(1-cyclohexylethyl)-5-methylaniline?
The InChIKey is SPXXXWMBPOXRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11-8-9-14(16)15(10-11)17-12(2)13-6-4-3-5-7-13/h8-10,12-13,17H,3-7H2,1-2H3.
What are the key properties of 2-bromo-N-(1-cyclohexylethyl)-5-methylaniline?
2-bromo-N-(1-cyclohexylethyl)-5-methylaniline has a molecular weight of 296.25 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclohexylethyl)-5-methylaniline is sourced from PubChem (CID 82762032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).