2,5-dibromo-N-(3-ethylcyclopentyl)aniline

C13H17Br2N — CID 64501925

IUPAC2,5-dibromo-N-(3-ethylcyclopentyl)aniline
SMILESCCC1CCC(Nc2cc(Br)ccc2Br)C1
InChIInChI=1S/C13H17Br2N/c1-2-9-3-5-11(7-9)16-13-8-10(14)4-6-12(13)15/h4,6,8-9,11,16H,2-3,5,7H2,1H3
InChIKeyOIQYIGUKAKQOLJ-UHFFFAOYSA-N
MW347.09 g/mol
LogP5.20
Rot. Bonds3

About 2,5-dibromo-N-(3-ethylcyclopentyl)aniline

2,5-dibromo-N-(3-ethylcyclopentyl)aniline (PubChem CID 64501925) has the molecular formula C13H17Br2N and a molecular weight of 347.09 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-ethylcyclopentyl)aniline.

Molecular Properties

Compound Name2,5-dibromo-N-(3-ethylcyclopentyl)aniline
PubChem CID64501925
Molecular FormulaC13H17Br2N
Molecular Weight347.09 g/mol
Exact Mass344.97
IUPAC Name2,5-dibromo-N-(3-ethylcyclopentyl)aniline
SMILESCCC1CCC(Nc2cc(Br)ccc2Br)C1
InChIInChI=1S/C13H17Br2N/c1-2-9-3-5-11(7-9)16-13-8-10(14)4-6-12(13)15/h4,6,8-9,11,16H,2-3,5,7H2,1H3
InChIKeyOIQYIGUKAKQOLJ-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.09
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-N-(3-ethylcyclohexyl)benzene-1,2-diamine
CID 65342365
1-N-(2,5-dibromophenyl)cyclohexane-1,3-diamine
CID 79458952
2,4,6-tribromo-N-(3-ethylcyclopentyl)aniline
CID 64501872
4-bromo-2-N-(4-ethylcyclohexyl)benzene-1,2-diamine
CID 65343384
3-bromo-4-[(3-ethylcyclopentyl)amino]benzonitrile
CID 64502119
N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 65083314
2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
CID 64502131
N-(4-bromo-2-ethylphenyl)-4-ethylcycloheptan-1-amine
CID 81292619
3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
CID 79461483
4-tert-butyl-N-(2,5-dibromophenyl)cycloheptan-1-amine
CID 65090161
N-(2,5-dibromophenyl)oxolan-3-amine
CID 63335357
N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline
CID 64501064

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-ethylcyclopentyl)aniline?
The IUPAC name of 2,5-dibromo-N-(3-ethylcyclopentyl)aniline (CID 64501925) is 2,5-dibromo-N-(3-ethylcyclopentyl)aniline.
What is the SMILES notation for 2,5-dibromo-N-(3-ethylcyclopentyl)aniline?
The canonical SMILES for 2,5-dibromo-N-(3-ethylcyclopentyl)aniline is CCC1CCC(Nc2cc(Br)ccc2Br)C1.
What is the InChIKey of 2,5-dibromo-N-(3-ethylcyclopentyl)aniline?
The InChIKey is OIQYIGUKAKQOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2N/c1-2-9-3-5-11(7-9)16-13-8-10(14)4-6-12(13)15/h4,6,8-9,11,16H,2-3,5,7H2,1H3.
What are the key properties of 2,5-dibromo-N-(3-ethylcyclopentyl)aniline?
2,5-dibromo-N-(3-ethylcyclopentyl)aniline has a molecular weight of 347.09 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-ethylcyclopentyl)aniline is sourced from PubChem (CID 64501925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).