N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine

C17H20BrFN2 — CID 62603776

IUPACN-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Br)c1ncccc1C
InChIInChI=1S/C17H20BrFN2/c1-3-8-20-16(17-12(2)5-4-9-21-17)10-13-6-7-14(19)11-15(13)18/h4-7,9,11,16,20H,3,8,10H2,1-2H3
InChIKeyQODXOCBEBIAACR-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.58
Rot. Bonds6

About N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine

N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 62603776) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID62603776
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC NameN-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(F)cc1Br)c1ncccc1C
InChIInChI=1S/C17H20BrFN2/c1-3-8-20-16(17-12(2)5-4-9-21-17)10-13-6-7-14(19)11-15(13)18/h4-7,9,11,16,20H,3,8,10H2,1-2H3
InChIKeyQODXOCBEBIAACR-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-2-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048562
N-[1-(3-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 103444762
N-[2-(2-bromo-4-fluorophenyl)-1-phenylethyl]propan-1-amine
CID 63413016
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 105373741
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805965
[2-(2-bromo-4-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethyl]hydrazine
CID 105257780
[2-(2-bromo-4-fluorophenyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203629
1-(2-bromo-4-fluorophenyl)-N-propylbutan-2-amine
CID 62601157
3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 81269673
4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 64566396

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine (CID 62603776) is N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(F)cc1Br)c1ncccc1C.
What is the InChIKey of N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is QODXOCBEBIAACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-3-8-20-16(17-12(2)5-4-9-21-17)10-13-6-7-14(19)11-15(13)18/h4-7,9,11,16,20H,3,8,10H2,1-2H3.
What are the key properties of N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 351.26 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 62603776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).