1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

C16H18BrFN2O — CID 114894511

IUPAC1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)c2cc(Br)ccc2F)c1C
InChIInChI=1S/C16H18BrFN2O/c1-9-8-20-15(10(2)16(9)21-3)7-14(19)12-6-11(17)4-5-13(12)18/h4-6,8,14H,7,19H2,1-3H3
InChIKeyWNNCLJVLQRJCMO-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.85
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine

1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (PubChem CID 114894511) has the molecular formula C16H18BrFN2O and a molecular weight of 353.24 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
PubChem CID114894511
Molecular FormulaC16H18BrFN2O
Molecular Weight353.24 g/mol
Exact Mass352.06
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCOc1c(C)cnc(CC(N)c2cc(Br)ccc2F)c1C
InChIInChI=1S/C16H18BrFN2O/c1-9-8-20-15(10(2)16(9)21-3)7-14(19)12-6-11(17)4-5-13(12)18/h4-6,8,14H,7,19H2,1-3H3
InChIKeyWNNCLJVLQRJCMO-UHFFFAOYSA-N
XLogP3.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 62945698
1-(3-chloro-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 64713618
1-(4-bromo-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 115844012
1-(5-chlorofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 106691804
1-(4-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114905820
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
2-[2-(4-bromophenyl)-3-chloropropyl]-4-methoxy-3,5-dimethylpyridine
CID 79433899
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 62603573
1-(5-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 115843956
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine (CID 114894511) is 1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is COc1c(C)cnc(CC(N)c2cc(Br)ccc2F)c1C.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
The InChIKey is WNNCLJVLQRJCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O/c1-9-8-20-15(10(2)16(9)21-3)7-14(19)12-6-11(17)4-5-13(12)18/h4-6,8,14H,7,19H2,1-3H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine?
1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine has a molecular weight of 353.24 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 114894511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).