1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine

C16H19BrN2 — CID 62551546

IUPAC1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)Cc1cccc(Br)c1
InChIInChI=1S/C16H19BrN2/c1-2-19-16(11-14-6-4-8-18-12-14)10-13-5-3-7-15(17)9-13/h3-9,12,16,19H,2,10-11H2,1H3
InChIKeyXJRGBFBMNWUYMP-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.61
Rot. Bonds6

About 1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine

1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 62551546) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
PubChem CID62551546
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
SMILESCCNC(Cc1cccnc1)Cc1cccc(Br)c1
InChIInChI=1S/C16H19BrN2/c1-2-19-16(11-14-6-4-8-18-12-14)10-13-5-3-7-15(17)9-13/h3-9,12,16,19H,2,10-11H2,1H3
InChIKeyXJRGBFBMNWUYMP-UHFFFAOYSA-N
XLogP3.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
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1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
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1-(3-bromo-5-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 79708649
1-(4-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
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1-(3-bromophenyl)-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 63413718
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 62126268
1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
N-ethyl-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylpropan-2-amine
CID 62602849
1-(3-bromophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 61372893
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine (CID 62551546) is 1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is CCNC(Cc1cccnc1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is XJRGBFBMNWUYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-2-19-16(11-14-6-4-8-18-12-14)10-13-5-3-7-15(17)9-13/h3-9,12,16,19H,2,10-11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine?
1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 319.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 62551546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).