1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine

C14H14BrClN2 — CID 81294947

IUPAC1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H14BrClN2/c1-17-14(8-10-4-6-18-7-5-10)11-2-3-12(15)13(16)9-11/h2-7,9,14,17H,8H2,1H3
InChIKeyHSACJIWMCOOENZ-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine

1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 81294947) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine
PubChem CID81294947
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H14BrClN2/c1-17-14(8-10-4-6-18-7-5-10)11-2-3-12(15)13(16)9-11/h2-7,9,14,17H,8H2,1H3
InChIKeyHSACJIWMCOOENZ-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromo-3-chlorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317536
1-(4-bromo-3-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81296013
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 79697191
(2R)-2-(4-bromo-3-chlorophenyl)-2-(methylamino)ethanol
CID 130740818
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-(4-bromo-3-chlorophenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863277
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 103052923
1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009485
1-(5-chlorofuran-2-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106688071
N-methyl-1-(3-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550882

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine (CID 81294947) is 1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is HSACJIWMCOOENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-17-14(8-10-4-6-18-7-5-10)11-2-3-12(15)13(16)9-11/h2-7,9,14,17H,8H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine?
1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 325.64 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 81294947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).