4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline

C15H22BrN — CID 107080258

IUPAC4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline
SMILESCCN(c1ccc(CBr)c(C)c1)C1CCCC1
InChIInChI=1S/C15H22BrN/c1-3-17(14-6-4-5-7-14)15-9-8-13(11-16)12(2)10-15/h8-10,14H,3-7,11H2,1-2H3
InChIKeyLIDPMDIQBYIFSM-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.66
Rot. Bonds4

About 4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline

4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline (PubChem CID 107080258) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline.

Molecular Properties

Compound Name4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline
PubChem CID107080258
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline
SMILESCCN(c1ccc(CBr)c(C)c1)C1CCCC1
InChIInChI=1S/C15H22BrN/c1-3-17(14-6-4-5-7-14)15-9-8-13(11-16)12(2)10-15/h8-10,14H,3-7,11H2,1-2H3
InChIKeyLIDPMDIQBYIFSM-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline?
The IUPAC name of 4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline (CID 107080258) is 4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline.
What is the SMILES notation for 4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline?
The canonical SMILES for 4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline is CCN(c1ccc(CBr)c(C)c1)C1CCCC1.
What is the InChIKey of 4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline?
The InChIKey is LIDPMDIQBYIFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-3-17(14-6-4-5-7-14)15-9-8-13(11-16)12(2)10-15/h8-10,14H,3-7,11H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline?
4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline has a molecular weight of 296.25 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-cyclopentyl-N-ethyl-3-methylaniline is sourced from PubChem (CID 107080258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).