5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline

C15H21BrF2N2 — CID 102853203

IUPAC5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline
SMILESCCN1CCCC(C(C)Nc2cc(Br)c(F)cc2F)C1
InChIInChI=1S/C15H21BrF2N2/c1-3-20-6-4-5-11(9-20)10(2)19-15-7-12(16)13(17)8-14(15)18/h7-8,10-11,19H,3-6,9H2,1-2H3
InChIKeyLEPYRZGSQHFPMX-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.26
Rot. Bonds4

About 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline

5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline (PubChem CID 102853203) has the molecular formula C15H21BrF2N2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline
PubChem CID102853203
Molecular FormulaC15H21BrF2N2
Molecular Weight347.25 g/mol
Exact Mass346.09
IUPAC Name5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline
SMILESCCN1CCCC(C(C)Nc2cc(Br)c(F)cc2F)C1
InChIInChI=1S/C15H21BrF2N2/c1-3-20-6-4-5-11(9-20)10(2)19-15-7-12(16)13(17)8-14(15)18/h7-8,10-11,19H,3-6,9H2,1-2H3
InChIKeyLEPYRZGSQHFPMX-UHFFFAOYSA-N
XLogP4.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2,4-difluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 102852683
2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 81263958
2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline
CID 43307483
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
2,5-dichloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 43307449
4-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-iodoaniline
CID 107632479
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline
CID 43716961
4-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-nitroaniline
CID 43746560
1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43307907
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671
1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
CID 43308467

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline?
The IUPAC name of 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline (CID 102853203) is 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline.
What is the SMILES notation for 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline?
The canonical SMILES for 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline is CCN1CCCC(C(C)Nc2cc(Br)c(F)cc2F)C1.
What is the InChIKey of 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline?
The InChIKey is LEPYRZGSQHFPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrF2N2/c1-3-20-6-4-5-11(9-20)10(2)19-15-7-12(16)13(17)8-14(15)18/h7-8,10-11,19H,3-6,9H2,1-2H3.
What are the key properties of 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline?
5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline has a molecular weight of 347.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline is sourced from PubChem (CID 102853203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).