4-bromo-N-(3-methylcyclopentyl)aniline

C12H16BrN — CID 64501647

IUPAC4-bromo-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrN/c1-9-2-5-12(8-9)14-11-6-3-10(13)4-7-11/h3-4,6-7,9,12,14H,2,5,8H2,1H3
InChIKeyZZCXRUVEJNXUNX-UHFFFAOYSA-N
MW254.17 g/mol
LogP4.05
Rot. Bonds2

About 4-bromo-N-(3-methylcyclopentyl)aniline

4-bromo-N-(3-methylcyclopentyl)aniline (PubChem CID 64501647) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 4-bromo-N-(3-methylcyclopentyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(3-methylcyclopentyl)aniline
PubChem CID64501647
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name4-bromo-N-(3-methylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrN/c1-9-2-5-12(8-9)14-11-6-3-10(13)4-7-11/h3-4,6-7,9,12,14H,2,5,8H2,1H3
InChIKeyZZCXRUVEJNXUNX-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methylcyclopentyl)aniline?
The IUPAC name of 4-bromo-N-(3-methylcyclopentyl)aniline (CID 64501647) is 4-bromo-N-(3-methylcyclopentyl)aniline.
What is the SMILES notation for 4-bromo-N-(3-methylcyclopentyl)aniline?
The canonical SMILES for 4-bromo-N-(3-methylcyclopentyl)aniline is CC1CCC(Nc2ccc(Br)cc2)C1.
What is the InChIKey of 4-bromo-N-(3-methylcyclopentyl)aniline?
The InChIKey is ZZCXRUVEJNXUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-9-2-5-12(8-9)14-11-6-3-10(13)4-7-11/h3-4,6-7,9,12,14H,2,5,8H2,1H3.
What are the key properties of 4-bromo-N-(3-methylcyclopentyl)aniline?
4-bromo-N-(3-methylcyclopentyl)aniline has a molecular weight of 254.17 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methylcyclopentyl)aniline is sourced from PubChem (CID 64501647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).