ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate

C15H22BrNO2 — CID 64539878

IUPACethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate
SMILESCCOC(=O)CC(CC)(c1ccc(Br)cc1)N(C)C
InChIInChI=1S/C15H22BrNO2/c1-5-15(17(3)4,11-14(18)19-6-2)12-7-9-13(16)10-8-12/h7-10H,5-6,11H2,1-4H3
InChIKeyMAPBFOUCRHIVJI-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.57
Rot. Bonds6

About ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate

ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate (PubChem CID 64539878) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate
PubChem CID64539878
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Nameethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate
SMILESCCOC(=O)CC(CC)(c1ccc(Br)cc1)N(C)C
InChIInChI=1S/C15H22BrNO2/c1-5-15(17(3)4,11-14(18)19-6-2)12-7-9-13(16)10-8-12/h7-10H,5-6,11H2,1-4H3
InChIKeyMAPBFOUCRHIVJI-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-bromophenyl)-3-fluorobutanoate
CID 146012954
ethyl 3-[4-(4-bromophenyl)phenyl]-3-hydroxybutanoate
CID 22718779
ethyl 3-(4-tert-butylphenyl)-3-(dimethylamino)butanoate
CID 64541814
ethyl 3-(dimethylamino)-5-methyl-3-phenylhexanoate
CID 64542234
ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
CID 10730860
ethyl 2-(4-bromophenyl)-2-hydroxybutanoate
CID 62215036
ethane;ethyl 2-(4-bromophenyl)-2-methylpropanoate
CID 144556613
ethyl 3-(4-bromophenyl)-3-hydroxy-4-phenylbutanoate
CID 142629518
diethyl 2-(4-bromophenyl)-2-(hydroxymethyl)propanedioate
CID 170992989
ethyl 2-(4-bromo-N-methylanilino)acetate
CID 102265686
diethyl 2,2-bis(4-bromophenoxy)propanedioate
CID 154094216
methyl 3-amino-3-(4-bromophenyl)pentanoate
CID 79848287

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate?
The IUPAC name of ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate (CID 64539878) is ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate.
What is the SMILES notation for ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate?
The canonical SMILES for ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate is CCOC(=O)CC(CC)(c1ccc(Br)cc1)N(C)C.
What is the InChIKey of ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate?
The InChIKey is MAPBFOUCRHIVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-5-15(17(3)4,11-14(18)19-6-2)12-7-9-13(16)10-8-12/h7-10H,5-6,11H2,1-4H3.
What are the key properties of ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate?
ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate has a molecular weight of 328.25 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-bromophenyl)-3-(dimethylamino)pentanoate is sourced from PubChem (CID 64539878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).