ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate

C19H24N2O2 — CID 10222746

IUPACethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate
SMILESCCOC(=O)c1ccc(C(CCN(C)C)c2ccccn2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-23-19(22)16-10-8-15(9-11-16)17(12-14-21(2)3)18-7-5-6-13-20-18/h5-11,13,17H,4,12,14H2,1-3H3
InChIKeyCOZSQYSZECDRLO-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.34
Rot. Bonds7

About ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate

ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate (PubChem CID 10222746) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate
PubChem CID10222746
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nameethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate
SMILESCCOC(=O)c1ccc(C(CCN(C)C)c2ccccn2)cc1
InChIInChI=1S/C19H24N2O2/c1-4-23-19(22)16-10-8-15(9-11-16)17(12-14-21(2)3)18-7-5-6-13-20-18/h5-11,13,17H,4,12,14H2,1-3H3
InChIKeyCOZSQYSZECDRLO-UHFFFAOYSA-N
XLogP3.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
CID 6328079
(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid
CID 6433334
(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid
CID 52949763
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138
calcium;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 69305247
(3R)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;2-hydroxybutanedioic acid
CID 69128691
(3R)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3,5-dinitrobenzoic acid
CID 169436384
4-(4-chlorophenyl)-N,N-dimethyl-4-pyridin-2-ylbutan-1-amine
CID 90681228
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 56841616
(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 131708765
4-[methyl-(3-phenyl-3-pyridin-2-ylpropyl)amino]-4-oxobut-2-enoic acid
CID 133052756
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate?
The IUPAC name of ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate (CID 10222746) is ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate.
What is the SMILES notation for ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate?
The canonical SMILES for ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate is CCOC(=O)c1ccc(C(CCN(C)C)c2ccccn2)cc1.
What is the InChIKey of ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate?
The InChIKey is COZSQYSZECDRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-23-19(22)16-10-8-15(9-11-16)17(12-14-21(2)3)18-7-5-6-13-20-18/h5-11,13,17H,4,12,14H2,1-3H3.
What are the key properties of ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate?
ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate has a molecular weight of 312.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate is sourced from PubChem (CID 10222746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).