N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine

C17H20BrFN2 — CID 105374176

IUPACN-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1C)c1cncc(Br)c1
InChIInChI=1S/C17H20BrFN2/c1-3-6-21-17(14-7-15(18)11-20-10-14)9-13-8-16(19)5-4-12(13)2/h4-5,7-8,10-11,17,21H,3,6,9H2,1-2H3
InChIKeyZTLMTSLTNIBJBC-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.58
Rot. Bonds6

About N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine

N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine (PubChem CID 105374176) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
PubChem CID105374176
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC NameN-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1C)c1cncc(Br)c1
InChIInChI=1S/C17H20BrFN2/c1-3-6-21-17(14-7-15(18)11-20-10-14)9-13-8-16(19)5-4-12(13)2/h4-5,7-8,10-11,17,21H,3,6,9H2,1-2H3
InChIKeyZTLMTSLTNIBJBC-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-bromo-3-pyridinyl)-1-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 104801776
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 105373741
N-[1-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105373665
N-[2-(4-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115374313
N-[1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethyl]propan-1-amine
CID 102618475
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
N-[(5-bromo-3-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 82802947
N-[1-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377138
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
N-[2-(2-bromo-5-fluorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115843853
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine (CID 105374176) is N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1C)c1cncc(Br)c1.
What is the InChIKey of N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is ZTLMTSLTNIBJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-3-6-21-17(14-7-15(18)11-20-10-14)9-13-8-16(19)5-4-12(13)2/h4-5,7-8,10-11,17,21H,3,6,9H2,1-2H3.
What are the key properties of N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine?
N-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)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-[1-(5-bromo-3-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105374176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).