3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline

C14H20BrN — CID 80706050

IUPAC3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
SMILESCc1ccc(NC2CCC(C)(C)C2)cc1Br
InChIInChI=1S/C14H20BrN/c1-10-4-5-11(8-13(10)15)16-12-6-7-14(2,3)9-12/h4-5,8,12,16H,6-7,9H2,1-3H3
InChIKeyRSLMMDDYTHSXEF-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.75
Rot. Bonds2

About 3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline

3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline (PubChem CID 80706050) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline.

Molecular Properties

Compound Name3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
PubChem CID80706050
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
SMILESCc1ccc(NC2CCC(C)(C)C2)cc1Br
InChIInChI=1S/C14H20BrN/c1-10-4-5-11(8-13(10)15)16-12-6-7-14(2,3)9-12/h4-5,8,12,16H,6-7,9H2,1-3H3
InChIKeyRSLMMDDYTHSXEF-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80692538
N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
CID 80705669
N-(3-bromo-4-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63332921
5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline
CID 80705464
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline
CID 114543506
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117
N-(3-bromo-4-methylphenyl)thian-4-amine
CID 63333541
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 80693397
N-(3-bromo-4-methylphenyl)thiolan-3-amine
CID 63333574
3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
CID 63462471
2-bromo-N-(3,3-dimethylcyclopentyl)aniline
CID 80692148
N-(3-bromo-4-methylphenyl)-1-methylpyrrolidin-3-amine
CID 63333499

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline?
The IUPAC name of 3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline (CID 80706050) is 3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline.
What is the SMILES notation for 3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline?
The canonical SMILES for 3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline is Cc1ccc(NC2CCC(C)(C)C2)cc1Br.
What is the InChIKey of 3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline?
The InChIKey is RSLMMDDYTHSXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-4-5-11(8-13(10)15)16-12-6-7-14(2,3)9-12/h4-5,8,12,16H,6-7,9H2,1-3H3.
What are the key properties of 3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline?
3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline has a molecular weight of 282.23 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline is sourced from PubChem (CID 80706050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).