ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate

C15H23NO2 — CID 159268955

IUPACethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate
SMILESCCOC(=O)CCCc1ccccc1CN(C)C
InChIInChI=1S/C15H23NO2/c1-4-18-15(17)11-7-10-13-8-5-6-9-14(13)12-16(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3
InChIKeyXMTCNAAQYPELPM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.63
Rot. Bonds7

About ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate

ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate (PubChem CID 159268955) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate.

Molecular Properties

Compound Nameethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate
PubChem CID159268955
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate
SMILESCCOC(=O)CCCc1ccccc1CN(C)C
InChIInChI=1S/C15H23NO2/c1-4-18-15(17)11-7-10-13-8-5-6-9-14(13)12-16(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3
InChIKeyXMTCNAAQYPELPM-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate?
The IUPAC name of ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate (CID 159268955) is ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate.
What is the SMILES notation for ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate?
The canonical SMILES for ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate is CCOC(=O)CCCc1ccccc1CN(C)C.
What is the InChIKey of ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate?
The InChIKey is XMTCNAAQYPELPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-15(17)11-7-10-13-8-5-6-9-14(13)12-16(2)3/h5-6,8-9H,4,7,10-12H2,1-3H3.
What are the key properties of ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate?
ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate has a molecular weight of 249.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(dimethylamino)methyl]phenyl]butanoate is sourced from PubChem (CID 159268955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).