2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline

C14H20BrN — CID 107399750

IUPAC2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline
SMILESCCN(CC1CCC1)c1ccccc1CBr
InChIInChI=1S/C14H20BrN/c1-2-16(11-12-6-5-7-12)14-9-4-3-8-13(14)10-15/h3-4,8-9,12H,2,5-7,10-11H2,1H3
InChIKeyFKYFPLLQOQMGOM-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.21
Rot. Bonds5

About 2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline

2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline (PubChem CID 107399750) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline.

Molecular Properties

Compound Name2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline
PubChem CID107399750
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline
SMILESCCN(CC1CCC1)c1ccccc1CBr
InChIInChI=1S/C14H20BrN/c1-2-16(11-12-6-5-7-12)14-9-4-3-8-13(14)10-15/h3-4,8-9,12H,2,5-7,10-11H2,1H3
InChIKeyFKYFPLLQOQMGOM-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
CID 107399653
5-bromo-2-(bromomethyl)-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083804
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63955607
(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 107399695
2-(2-aminopropyl)-5-bromo-N-(cyclobutylmethyl)-N-ethylaniline
CID 107402418
2-(2-aminopropyl)-N-(cyclobutylmethyl)-N-ethyl-4-fluoroaniline
CID 107402451
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2-(methylaminomethyl)aniline
CID 107399886
2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
N-(cyclobutylmethyl)-N-ethyl-2-(ethylaminomethyl)-4-fluoroaniline
CID 107399877
2-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081482
4-N-(cyclobutylmethyl)-4-N-ethylpyridine-3,4-diamine
CID 107397217
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline
CID 107402420

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline?
The IUPAC name of 2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline (CID 107399750) is 2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline.
What is the SMILES notation for 2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline?
The canonical SMILES for 2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline is CCN(CC1CCC1)c1ccccc1CBr.
What is the InChIKey of 2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline?
The InChIKey is FKYFPLLQOQMGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-16(11-12-6-5-7-12)14-9-4-3-8-13(14)10-15/h3-4,8-9,12H,2,5-7,10-11H2,1H3.
What are the key properties of 2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline?
2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline has a molecular weight of 282.22 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline is sourced from PubChem (CID 107399750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).