4-bromo-N-cyclopentyl-2-ethylaniline

C13H18BrN — CID 81292169

IUPAC4-bromo-N-cyclopentyl-2-ethylaniline
SMILESCCc1cc(Br)ccc1NC1CCCC1
InChIInChI=1S/C13H18BrN/c1-2-10-9-11(14)7-8-13(10)15-12-5-3-4-6-12/h7-9,12,15H,2-6H2,1H3
InChIKeyBDNRHKBOHAPIFY-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.37
Rot. Bonds3

About 4-bromo-N-cyclopentyl-2-ethylaniline

4-bromo-N-cyclopentyl-2-ethylaniline (PubChem CID 81292169) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-2-ethylaniline.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-2-ethylaniline
PubChem CID81292169
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name4-bromo-N-cyclopentyl-2-ethylaniline
SMILESCCc1cc(Br)ccc1NC1CCCC1
InChIInChI=1S/C13H18BrN/c1-2-10-9-11(14)7-8-13(10)15-12-5-3-4-6-12/h7-9,12,15H,2-6H2,1H3
InChIKeyBDNRHKBOHAPIFY-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-ethylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 81292475
N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine
CID 81292619
N-(4-bromo-2-ethylphenyl)-1,1-dioxothiolan-3-amine
CID 81292372
4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide
CID 81292473
1-(4-bromo-2-ethylphenyl)-3-cyclopentylthiourea
CID 19687737
3-(4-bromo-2-ethylanilino)azepan-2-one
CID 81292544
1-(4-bromo-2-ethylphenyl)-3-cyclohexylthiourea
CID 19687726
4-bromo-N-(2,2-dimethylcyclopentyl)-2-ethylaniline
CID 81292278
tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate
CID 113259602
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 81291729
N-(4-bromo-2-ethylphenyl)-2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690368

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-2-ethylaniline?
The IUPAC name of 4-bromo-N-cyclopentyl-2-ethylaniline (CID 81292169) is 4-bromo-N-cyclopentyl-2-ethylaniline.
What is the SMILES notation for 4-bromo-N-cyclopentyl-2-ethylaniline?
The canonical SMILES for 4-bromo-N-cyclopentyl-2-ethylaniline is CCc1cc(Br)ccc1NC1CCCC1.
What is the InChIKey of 4-bromo-N-cyclopentyl-2-ethylaniline?
The InChIKey is BDNRHKBOHAPIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-2-10-9-11(14)7-8-13(10)15-12-5-3-4-6-12/h7-9,12,15H,2-6H2,1H3.
What are the key properties of 4-bromo-N-cyclopentyl-2-ethylaniline?
4-bromo-N-cyclopentyl-2-ethylaniline has a molecular weight of 268.20 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-2-ethylaniline is sourced from PubChem (CID 81292169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).