2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline

C17H26BrClN2 — CID 104722437

IUPAC2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2cc(Cl)c(C)cc2Br)C1
InChIInChI=1S/C17H26BrClN2/c1-4-7-21-8-5-6-14(11-21)13(3)20-17-10-16(19)12(2)9-15(17)18/h9-10,13-14,20H,4-8,11H2,1-3H3
InChIKeyPUDNURHQSPUROE-UHFFFAOYSA-N
MW373.77 g/mol
LogP5.33
Rot. Bonds5

About 2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline

2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (PubChem CID 104722437) has the molecular formula C17H26BrClN2 and a molecular weight of 373.77 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
PubChem CID104722437
Molecular FormulaC17H26BrClN2
Molecular Weight373.77 g/mol
Exact Mass372.10
IUPAC Name2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
SMILESCCCN1CCCC(C(C)Nc2cc(Cl)c(C)cc2Br)C1
InChIInChI=1S/C17H26BrClN2/c1-4-7-21-8-5-6-14(11-21)13(3)20-17-10-16(19)12(2)9-15(17)18/h9-10,13-14,20H,4-8,11H2,1-3H3
InChIKeyPUDNURHQSPUROE-UHFFFAOYSA-N
XLogP5.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.77
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308799
4-bromo-2,6-dichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308713
2-chloro-4-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308731
5-bromo-2,4-difluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 102852683
2,4,6-trichloro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308707
2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308056
2-bromo-5-chloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 81263958
4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine
CID 63329410
2-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-methylaniline
CID 43307483
4-chloro-3-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43721347
2-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyridin-3-amine
CID 65484329
4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 107620998

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline (CID 104722437) is 2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is CCCN1CCCC(C(C)Nc2cc(Cl)c(C)cc2Br)C1.
What is the InChIKey of 2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
The InChIKey is PUDNURHQSPUROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrClN2/c1-4-7-21-8-5-6-14(11-21)13(3)20-17-10-16(19)12(2)9-15(17)18/h9-10,13-14,20H,4-8,11H2,1-3H3.
What are the key properties of 2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline?
2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline has a molecular weight of 373.77 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 104722437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).