5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline

C14H20BrN — CID 80705464

IUPAC5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline
SMILESCc1ccc(Br)cc1NC1CCC(C)(C)C1
InChIInChI=1S/C14H20BrN/c1-10-4-5-11(15)8-13(10)16-12-6-7-14(2,3)9-12/h4-5,8,12,16H,6-7,9H2,1-3H3
InChIKeyININHIMEOAYTLQ-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.75
Rot. Bonds2

About 5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline

5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline (PubChem CID 80705464) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline
PubChem CID80705464
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline
SMILESCc1ccc(Br)cc1NC1CCC(C)(C)C1
InChIInChI=1S/C14H20BrN/c1-10-4-5-11(15)8-13(10)16-12-6-7-14(2,3)9-12/h4-5,8,12,16H,6-7,9H2,1-3H3
InChIKeyININHIMEOAYTLQ-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 ≤ 500282.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline?
The IUPAC name of 5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline (CID 80705464) is 5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline.
What is the SMILES notation for 5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline?
The canonical SMILES for 5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline is Cc1ccc(Br)cc1NC1CCC(C)(C)C1.
What is the InChIKey of 5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline?
The InChIKey is ININHIMEOAYTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-4-5-11(15)8-13(10)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 5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline?
5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline has a molecular weight of 282.22 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 5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline is sourced from PubChem (CID 80705464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).