3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline

C15H22BrN — CID 63462471

IUPAC3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
SMILESCCC1CCC(Nc2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C15H22BrN/c1-3-12-5-8-13(9-6-12)17-14-7-4-11(2)15(16)10-14/h4,7,10,12-13,17H,3,5-6,8-9H2,1-2H3
InChIKeyGOCLTZNJDRIXER-UHFFFAOYSA-N
MW296.25 g/mol
LogP5.14
Rot. Bonds3

About 3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline

3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline (PubChem CID 63462471) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline.

Molecular Properties

Compound Name3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
PubChem CID63462471
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
SMILESCCC1CCC(Nc2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C15H22BrN/c1-3-12-5-8-13(9-6-12)17-14-7-4-11(2)15(16)10-14/h4,7,10,12-13,17H,3,5-6,8-9H2,1-2H3
InChIKeyGOCLTZNJDRIXER-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

N-(3-bromo-4-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091284
4-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955577
N-(4-ethylcyclohexyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455763
N-(3-bromo-4-methylphenyl)thian-4-amine
CID 63333541
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494
N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 63333499
3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
CID 64502448
N-(3-ethylcyclopentyl)-3-iodo-4-methylaniline
CID 64502521
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741
N-(3-bromo-4-methylphenyl)thiolan-3-amine
CID 63333574
N-(3-bromo-4-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63332921
3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80706050

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline?
The IUPAC name of 3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline (CID 63462471) is 3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline.
What is the SMILES notation for 3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline?
The canonical SMILES for 3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline is CCC1CCC(Nc2ccc(C)c(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline?
The InChIKey is GOCLTZNJDRIXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-3-12-5-8-13(9-6-12)17-14-7-4-11(2)15(16)10-14/h4,7,10,12-13,17H,3,5-6,8-9H2,1-2H3.
What are the key properties of 3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline?
3-bromo-N-(4-ethylcyclohexyl)-4-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 3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline is sourced from PubChem (CID 63462471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).