1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate

C15H22FNO3 — CID 165354472

IUPAC1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate
SMILESCCN(CC)CC(C)OC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO3/c1-5-17(6-2)10-11(3)20-15(18)12-7-8-14(19-4)13(16)9-12/h7-9,11H,5-6,10H2,1-4H3
InChIKeyDPZXVQRQIGPHLD-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.72
Rot. Bonds7

About 1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate

1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate (PubChem CID 165354472) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate
PubChem CID165354472
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate
SMILESCCN(CC)CC(C)OC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO3/c1-5-17(6-2)10-11(3)20-15(18)12-7-8-14(19-4)13(16)9-12/h7-9,11H,5-6,10H2,1-4H3
InChIKeyDPZXVQRQIGPHLD-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 14471317
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 7991804
2-[butan-2-yl(ethyl)amino]-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43795984
N,N-diethyl-2-(3-fluoro-4-methoxyphenyl)-2-oxoacetamide
CID 94270213
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 112510192
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 7991651
pentan-2-yl 3,4-difluorobenzoate
CID 91716937
1-ethoxypropan-2-yl 3-amino-4-methoxybenzoate
CID 103489037
1-(3-fluoro-4-methoxyphenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 61452057
N-(2-bromoethyl)-3-fluoro-4-methoxy-N-propan-2-ylbenzamide
CID 80665485
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 116564462

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate?
The IUPAC name of 1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate (CID 165354472) is 1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for 1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate?
The canonical SMILES for 1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate is CCN(CC)CC(C)OC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate?
The InChIKey is DPZXVQRQIGPHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-5-17(6-2)10-11(3)20-15(18)12-7-8-14(19-4)13(16)9-12/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate?
1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate has a molecular weight of 283.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)propan-2-yl 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 165354472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).