1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine

C13H10BrCl2FN2 — CID 106645889

IUPAC1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H10BrCl2FN2/c1-18-12(8-3-2-4-9(14)11(8)17)13-10(16)5-7(15)6-19-13/h2-6,12,18H,1H3
InChIKeyNZWIKLRUUJLENC-UHFFFAOYSA-N
MW364.05 g/mol
LogP4.60
Rot. Bonds3

About 1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine

1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine (PubChem CID 106645889) has the molecular formula C13H10BrCl2FN2 and a molecular weight of 364.05 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
PubChem CID106645889
Molecular FormulaC13H10BrCl2FN2
Molecular Weight364.05 g/mol
Exact Mass361.94
IUPAC Name1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1F)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H10BrCl2FN2/c1-18-12(8-3-2-4-9(14)11(8)17)13-10(16)5-7(15)6-19-13/h2-6,12,18H,1H3
InChIKeyNZWIKLRUUJLENC-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.05
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 79780074
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 107953930
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 79780803
1-(3,5-dichloro-2-pyridinyl)-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 79783522
N-[(3-bromo-2-fluorophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 106647833
N-[(3,5-dichloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82793264
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 106645604
1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106645505
1-(3-bromo-2-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107953734
1-(2-chloro-5-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylmethanamine
CID 105395458
N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107513634
1-(3,5-dichloro-2-pyridinyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 79779897

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine (CID 106645889) is 1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine is CNC(c1cccc(Br)c1F)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is NZWIKLRUUJLENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2FN2/c1-18-12(8-3-2-4-9(14)11(8)17)13-10(16)5-7(15)6-19-13/h2-6,12,18H,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine?
1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 364.05 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 106645889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).