N-[2-(bromomethyl)pentyl]-N-ethylaniline

C14H22BrN — CID 65011239

IUPACN-[2-(bromomethyl)pentyl]-N-ethylaniline
SMILESCCCC(CBr)CN(CC)c1ccccc1
InChIInChI=1S/C14H22BrN/c1-3-8-13(11-15)12-16(4-2)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3
InChIKeyMUXMCVCHRDKTLK-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.32
Rot. Bonds7

About N-[2-(bromomethyl)pentyl]-N-ethylaniline

N-[2-(bromomethyl)pentyl]-N-ethylaniline (PubChem CID 65011239) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[2-(bromomethyl)pentyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[2-(bromomethyl)pentyl]-N-ethylaniline
PubChem CID65011239
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[2-(bromomethyl)pentyl]-N-ethylaniline
SMILESCCCC(CBr)CN(CC)c1ccccc1
InChIInChI=1S/C14H22BrN/c1-3-8-13(11-15)12-16(4-2)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3
InChIKeyMUXMCVCHRDKTLK-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)pentyl]-N-ethylaniline?
The IUPAC name of N-[2-(bromomethyl)pentyl]-N-ethylaniline (CID 65011239) is N-[2-(bromomethyl)pentyl]-N-ethylaniline.
What is the SMILES notation for N-[2-(bromomethyl)pentyl]-N-ethylaniline?
The canonical SMILES for N-[2-(bromomethyl)pentyl]-N-ethylaniline is CCCC(CBr)CN(CC)c1ccccc1.
What is the InChIKey of N-[2-(bromomethyl)pentyl]-N-ethylaniline?
The InChIKey is MUXMCVCHRDKTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-3-8-13(11-15)12-16(4-2)14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3.
What are the key properties of N-[2-(bromomethyl)pentyl]-N-ethylaniline?
N-[2-(bromomethyl)pentyl]-N-ethylaniline has a molecular weight of 284.24 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)pentyl]-N-ethylaniline is sourced from PubChem (CID 65011239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).