1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine

C14H13BrClFN2 — CID 102857803

IUPAC1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1cncc(Br)c1
InChIInChI=1S/C14H13BrClFN2/c1-18-13(10-5-11(15)8-19-7-10)6-9-3-2-4-12(16)14(9)17/h2-5,7-8,13,18H,6H2,1H3
InChIKeyICIBDYXPLCRBGS-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.14
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine

1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 102857803) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
PubChem CID102857803
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cccc(Cl)c1F)c1cncc(Br)c1
InChIInChI=1S/C14H13BrClFN2/c1-18-13(10-5-11(15)8-19-7-10)6-9-3-2-4-12(16)14(9)17/h2-5,7-8,13,18H,6H2,1H3
InChIKeyICIBDYXPLCRBGS-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857903
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 102857521
2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 82790001
2-(3-chloro-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106858929
2-(3-chloro-2-fluorophenyl)-1-(furan-3-yl)-N-methylethanamine
CID 82806792
[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105264388
1-(5-bromothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857587
1-(2-bromo-3,4-difluorophenyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 107538975
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114660124
1-(3-bromo-5-methylphenyl)-2-(3-chloro-2-fluorophenyl)-N-ethylethanamine
CID 102866399
5-chloro-3-[2-(3-chloro-2-fluorophenyl)-1-(methylamino)ethyl]pyridin-2-amine
CID 82806067
2-(3-chloro-2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 102857856

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine (CID 102857803) is 1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine is CNC(Cc1cccc(Cl)c1F)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is ICIBDYXPLCRBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c1-18-13(10-5-11(15)8-19-7-10)6-9-3-2-4-12(16)14(9)17/h2-5,7-8,13,18H,6H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine?
1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 343.63 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 102857803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).