1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine

C16H18BrFN2 — CID 107955410

IUPAC1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1ccc(F)c(Br)c1)C(C)c1ccncc1
InChIInChI=1S/C16H18BrFN2/c1-3-20-16(11(2)12-6-8-19-9-7-12)13-4-5-15(18)14(17)10-13/h4-11,16,20H,3H2,1-2H3
InChIKeyVRKLZNZRKGFDSJ-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.44
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine

1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 107955410) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
PubChem CID107955410
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
SMILESCCNC(c1ccc(F)c(Br)c1)C(C)c1ccncc1
InChIInChI=1S/C16H18BrFN2/c1-3-20-16(11(2)12-6-8-19-9-7-12)13-4-5-15(18)14(17)10-13/h4-11,16,20H,3H2,1-2H3
InChIKeyVRKLZNZRKGFDSJ-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446581
1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83155186
1-(3-bromo-5-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 104853272
1-(5-bromo-2-methylphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446193
N-[(3-bromo-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181011
N-[(3-bromo-4-fluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 82809323
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 106854815
1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
1-(3-bromo-5-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446400
N-ethyl-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 60820043
1-(3-bromo-4-fluorophenyl)-N-ethylheptan-1-amine
CID 82810387
N-ethyl-1-(2-methylsulfanylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 79218018

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine (CID 107955410) is 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine is CCNC(c1ccc(F)c(Br)c1)C(C)c1ccncc1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is VRKLZNZRKGFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-3-20-16(11(2)12-6-8-19-9-7-12)13-4-5-15(18)14(17)10-13/h4-11,16,20H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine?
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 337.24 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 107955410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).