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

C14H13BrClFN2 — CID 103444324

IUPAC2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1ncccc1Cl
InChIInChI=1S/C14H13BrClFN2/c1-18-13(14-11(16)3-2-6-19-14)8-9-7-10(15)4-5-12(9)17/h2-7,13,18H,8H2,1H3
InChIKeyBNUCATULDQWZLS-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.14
Rot. Bonds4

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

2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine (PubChem CID 103444324) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
PubChem CID103444324
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)ccc1F)c1ncccc1Cl
InChIInChI=1S/C14H13BrClFN2/c1-18-13(14-11(16)3-2-6-19-14)8-9-7-10(15)4-5-12(9)17/h2-7,13,18H,8H2,1H3
InChIKeyBNUCATULDQWZLS-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

2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 79780467
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-2-pyridinyl)-N-methylethanamine
CID 103049000
[2-(5-bromo-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209222
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732649
1-(3-bromo-4-chlorophenyl)-2-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 115567161
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106857259
2-(5-bromo-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115839138
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106868760
[2-(5-bromo-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]hydrazine
CID 105294921
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239
1-(3-chloro-2-pyridinyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 103444536

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine (CID 103444324) is 2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine is CNC(Cc1cc(Br)ccc1F)c1ncccc1Cl.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine?
The InChIKey is BNUCATULDQWZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c1-18-13(14-11(16)3-2-6-19-14)8-9-7-10(15)4-5-12(9)17/h2-7,13,18H,8H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine?
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-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 2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 103444324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).