propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride

C17H27ClFNO3 — CID 175021538

IUPACpropan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride
SMILESCOc1ccc(C(N)(CC(C)(C)C)C(=O)OC(C)C)c(F)c1.Cl
InChIInChI=1S/C17H26FNO3.ClH/c1-11(2)22-15(20)17(19,10-16(3,4)5)13-8-7-12(21-6)9-14(13)18;/h7-9,11H,10,19H2,1-6H3;1H
InChIKeyLBOZRDTUOLWBIN-UHFFFAOYSA-N
MW347.86 g/mol
LogP3.80
Rot. Bonds5

About propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride

propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride (PubChem CID 175021538) has the molecular formula C17H27ClFNO3 and a molecular weight of 347.86 g/mol. Its IUPAC name is propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride
PubChem CID175021538
Molecular FormulaC17H27ClFNO3
Molecular Weight347.86 g/mol
Exact Mass347.17
IUPAC Namepropan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride
SMILESCOc1ccc(C(N)(CC(C)(C)C)C(=O)OC(C)C)c(F)c1.Cl
InChIInChI=1S/C17H26FNO3.ClH/c1-11(2)22-15(20)17(19,10-16(3,4)5)13-8-7-12(21-6)9-14(13)18;/h7-9,11H,10,19H2,1-6H3;1H
InChIKeyLBOZRDTUOLWBIN-UHFFFAOYSA-N
XLogP3.80
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
2-fluoro-2-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 69346788
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131
propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate
CID 146594836
propan-2-yl (2R)-2-amino-2-[3-fluoro-4-(tetrazol-1-yl)phenyl]-4,4-dimethylpentanoate
CID 138552553
2-amino-2-(2-fluoro-5-methoxyphenyl)propan-1-ol
CID 55271150
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide;hydrochloride
CID 119607834
2-amino-1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 103397216
4-(2-fluoro-4-methoxyphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297395
1-(2-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 103395231
(3R)-3-amino-3-(2-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246300
1-(3,4-dimethylphenyl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 103395200

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride?
The IUPAC name of propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride (CID 175021538) is propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride.
What is the SMILES notation for propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride?
The canonical SMILES for propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride is COc1ccc(C(N)(CC(C)(C)C)C(=O)OC(C)C)c(F)c1.Cl.
What is the InChIKey of propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride?
The InChIKey is LBOZRDTUOLWBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO3.ClH/c1-11(2)22-15(20)17(19,10-16(3,4)5)13-8-7-12(21-6)9-14(13)18;/h7-9,11H,10,19H2,1-6H3;1H.
What are the key properties of propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride?
propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride has a molecular weight of 347.86 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-2-(2-fluoro-4-methoxyphenyl)-4,4-dimethylpentanoate;hydrochloride is sourced from PubChem (CID 175021538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).