4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid

C15H22FNO3 — CID 64706231

IUPAC4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)Oc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H22FNO3/c1-4-9-17-15(3,14(18)19)10-11(2)20-13-7-5-12(16)6-8-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyBZGSVASZQAHRPG-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.83
Rot. Bonds8

About 4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid

4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 64706231) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
PubChem CID64706231
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)Oc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H22FNO3/c1-4-9-17-15(3,14(18)19)10-11(2)20-13-7-5-12(16)6-8-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyBZGSVASZQAHRPG-UHFFFAOYSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-difluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64719812
4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706561
4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64706234
2-(ethylamino)-4-(4-fluorophenoxy)-2-methylpentan-1-ol
CID 64803932
2-methyl-4-(2-methylbutan-2-yloxy)-2-(propylamino)pentanoic acid
CID 64708806
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82959471
2-[3-(4-fluorophenoxy)propylamino]-2-methylbutanoic acid
CID 79801718
2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
CID 64707386
4-(3-methoxyphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 64706836
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
methyl 2-(ethylamino)-2-methyl-4-phenoxypentanoate
CID 64706852

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid (CID 64706231) is 4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)Oc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is BZGSVASZQAHRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-9-17-15(3,14(18)19)10-11(2)20-13-7-5-12(16)6-8-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid?
4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 283.34 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64706231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).