2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline

C15H22BrClN2 — CID 81263958

IUPAC2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
SMILESCCN1CCCC(C(C)Nc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C15H22BrClN2/c1-3-19-8-4-5-12(10-19)11(2)18-15-9-13(17)6-7-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3
InChIKeyOCLIUMLCGLIXBB-UHFFFAOYSA-N
MW345.71 g/mol
LogP4.63
Rot. Bonds4

About 2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline

2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline (PubChem CID 81263958) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
PubChem CID81263958
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC Name2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
SMILESCCN1CCCC(C(C)Nc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C15H22BrClN2/c1-3-19-8-4-5-12(10-19)11(2)18-15-9-13(17)6-7-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3
InChIKeyOCLIUMLCGLIXBB-UHFFFAOYSA-N
XLogP4.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline
CID 43307483
5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline
CID 102853203
2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 81263405
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 104722437
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-iodo-2-methylaniline
CID 43716961
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
4-bromo-2-chloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308799
4-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-nitroaniline
CID 43746560
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
CID 62810700

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline (CID 81263958) is 2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline is CCN1CCCC(C(C)Nc2cc(Cl)ccc2Br)C1.
What is the InChIKey of 2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline?
The InChIKey is OCLIUMLCGLIXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-3-19-8-4-5-12(10-19)11(2)18-15-9-13(17)6-7-14(15)16/h6-7,9,11-12,18H,3-5,8,10H2,1-2H3.
What are the key properties of 2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline?
2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline has a molecular weight of 345.71 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 81263958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).