1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine

C16H19BrN2O — CID 104801827

IUPAC1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine
SMILESCCNC(COc1ccccc1)Cc1cncc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-2-19-15(9-13-8-14(17)11-18-10-13)12-20-16-6-4-3-5-7-16/h3-8,10-11,15,19H,2,9,12H2,1H3
InChIKeyBCRGDCKFWONHDZ-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.44
Rot. Bonds7

About 1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine

1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine (PubChem CID 104801827) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine
PubChem CID104801827
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine
SMILESCCNC(COc1ccccc1)Cc1cncc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-2-19-15(9-13-8-14(17)11-18-10-13)12-20-16-6-4-3-5-7-16/h3-8,10-11,15,19H,2,9,12H2,1H3
InChIKeyBCRGDCKFWONHDZ-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-bromo-3-pyridinyl)-3-phenoxypropan-2-yl]hydrazine
CID 105212897
1-(3-bromophenyl)-N-ethyl-4-phenoxybutan-2-amine
CID 60798298
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105181327
1-(5-bromo-3-pyridinyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 105181259
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 62551546
1-(5-bromo-3-pyridinyl)-N-ethyl-4-(2-methoxyethoxy)butan-2-amine
CID 102928454
1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 105089943
1-(5-bromo-3-pyridinyl)-3-(2-chloro-6-fluorophenyl)-N-ethylpropan-2-amine
CID 104801929
2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
CID 104804061
4-(5-bromo-3-pyridinyl)-N-ethyl-1-methoxybutan-2-amine
CID 104800074
3-(5-bromo-3-pyridinyl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 104803184

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine (CID 104801827) is 1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine is CCNC(COc1ccccc1)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine?
The InChIKey is BCRGDCKFWONHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-2-19-15(9-13-8-14(17)11-18-10-13)12-20-16-6-4-3-5-7-16/h3-8,10-11,15,19H,2,9,12H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine?
1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine has a molecular weight of 335.25 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-ethyl-3-phenoxypropan-2-amine is sourced from PubChem (CID 104801827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).