3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline

C13H16BrN — CID 107908431

IUPAC3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline
SMILESCc1cc(Br)cc(NC2C=CCCC2)c1
InChIInChI=1S/C13H16BrN/c1-10-7-11(14)9-13(8-10)15-12-5-3-2-4-6-12/h3,5,7-9,12,15H,2,4,6H2,1H3
InChIKeyGAXHNAOLAHXTEO-UHFFFAOYSA-N
MW266.18 g/mol
LogP4.28
Rot. Bonds2

About 3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline

3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline (PubChem CID 107908431) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is 3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline
PubChem CID107908431
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline
SMILESCc1cc(Br)cc(NC2C=CCCC2)c1
InChIInChI=1S/C13H16BrN/c1-10-7-11(14)9-13(8-10)15-12-5-3-2-4-6-12/h3,5,7-9,12,15H,2,4,6H2,1H3
InChIKeyGAXHNAOLAHXTEO-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-cyclohex-2-en-1-yl-5-(trifluoromethyl)aniline
CID 107907161
N-[(1S)-cyclohex-2-en-1-yl]-4-methylaniline
CID 101110107
3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline
CID 107908426
4-bromo-N-cyclohex-2-en-1-yl-3-(trifluoromethyl)aniline
CID 107907073
2-bromo-N-cyclohex-2-en-1-yl-3-methylaniline
CID 107907589
(2E)-N-(4-bromo-3-iodophenyl)cyclooct-2-en-1-amine
CID 114260407
(2E)-N-(4-fluoro-3-methylphenyl)cyclooct-2-en-1-amine
CID 114227819
(2Z)-N-[3,5-bis(trifluoromethyl)phenyl]cyclooct-2-en-1-amine
CID 132500493
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107582137
N-(3-bromo-5-methylphenyl)-1-methylpyrrolidin-3-amine
CID 107582028
3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline
CID 107582382
4-bromo-2-(cyclohex-2-en-1-ylamino)benzonitrile
CID 107908502

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline?
The IUPAC name of 3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline (CID 107908431) is 3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline.
What is the SMILES notation for 3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline?
The canonical SMILES for 3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline is Cc1cc(Br)cc(NC2C=CCCC2)c1.
What is the InChIKey of 3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline?
The InChIKey is GAXHNAOLAHXTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c1-10-7-11(14)9-13(8-10)15-12-5-3-2-4-6-12/h3,5,7-9,12,15H,2,4,6H2,1H3.
What are the key properties of 3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline?
3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline has a molecular weight of 266.18 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohex-2-en-1-yl-5-methylaniline is sourced from PubChem (CID 107908431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).