3-bromo-N-cyclohexyl-N-ethylaniline

C14H20BrN — CID 146003901

IUPAC3-bromo-N-cyclohexyl-N-ethylaniline
SMILESCCN(c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H20BrN/c1-2-16(13-8-4-3-5-9-13)14-10-6-7-12(15)11-14/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyOXLJAFTWKFGVAB-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.61
Rot. Bonds3

About 3-bromo-N-cyclohexyl-N-ethylaniline

3-bromo-N-cyclohexyl-N-ethylaniline (PubChem CID 146003901) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-N-ethylaniline.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-N-ethylaniline
PubChem CID146003901
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name3-bromo-N-cyclohexyl-N-ethylaniline
SMILESCCN(c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H20BrN/c1-2-16(13-8-4-3-5-9-13)14-10-6-7-12(15)11-14/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyOXLJAFTWKFGVAB-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine
CID 104531564
1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 69065368
4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
CID 43540845
N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 107080258
3-[cyclohexyl(propyl)amino]phenol
CID 57226980
5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
CID 43280941
4-bromo-2-[cyclopentyl(ethyl)amino]benzaldehyde
CID 43541309
N-cyclohexyl-N-ethyl-4-(trifluoromethyl)aniline
CID 10778520
N-benzyl-N-cyclohexyl-3-methylaniline
CID 21396776
4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile
CID 55157250

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-N-ethylaniline?
The IUPAC name of 3-bromo-N-cyclohexyl-N-ethylaniline (CID 146003901) is 3-bromo-N-cyclohexyl-N-ethylaniline.
What is the SMILES notation for 3-bromo-N-cyclohexyl-N-ethylaniline?
The canonical SMILES for 3-bromo-N-cyclohexyl-N-ethylaniline is CCN(c1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of 3-bromo-N-cyclohexyl-N-ethylaniline?
The InChIKey is OXLJAFTWKFGVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-16(13-8-4-3-5-9-13)14-10-6-7-12(15)11-14/h6-7,10-11,13H,2-5,8-9H2,1H3.
What are the key properties of 3-bromo-N-cyclohexyl-N-ethylaniline?
3-bromo-N-cyclohexyl-N-ethylaniline has a molecular weight of 282.22 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexyl-N-ethylaniline is sourced from PubChem (CID 146003901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).