ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate

C15H22FNO3 — CID 62941655

IUPACethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate
SMILESCCOC(=O)CC(C)CC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO3/c1-4-20-15(18)8-10(2)7-13(17)11-5-6-14(19-3)12(16)9-11/h5-6,9-10,13H,4,7-8,17H2,1-3H3
InChIKeySQIORYGEAVNYMJ-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.81
Rot. Bonds7

About ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate

ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate (PubChem CID 62941655) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate
PubChem CID62941655
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Nameethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate
SMILESCCOC(=O)CC(C)CC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FNO3/c1-4-20-15(18)8-10(2)7-13(17)11-5-6-14(19-3)12(16)9-11/h5-6,9-10,13H,4,7-8,17H2,1-3H3
InChIKeySQIORYGEAVNYMJ-UHFFFAOYSA-N
XLogP2.81
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
methyl 5-amino-5-(3-chloro-4-methoxyphenyl)-3-methylpentanoate
CID 62941825
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
ethyl 4-chloro-4-(3-fluoro-4-methoxyphenyl)butanoate
CID 82366944
ethyl 5-amino-5-(2,5-difluorophenyl)-3-methylpentanoate
CID 62935187
ethyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171229658

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate?
The IUPAC name of ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate (CID 62941655) is ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate.
What is the SMILES notation for ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate?
The canonical SMILES for ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate is CCOC(=O)CC(C)CC(N)c1ccc(OC)c(F)c1.
What is the InChIKey of ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate?
The InChIKey is SQIORYGEAVNYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-20-15(18)8-10(2)7-13(17)11-5-6-14(19-3)12(16)9-11/h5-6,9-10,13H,4,7-8,17H2,1-3H3.
What are the key properties of ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate?
ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate has a molecular weight of 283.34 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate is sourced from PubChem (CID 62941655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).