5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid

C15H22FNO2 — CID 65254792

IUPAC5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
SMILESCN(CCCC(C)(C)C(=O)O)Cc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-15(2,14(18)19)9-6-10-17(3)11-12-7-4-5-8-13(12)16/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,19)
InChIKeyNWJISGCEISMZSC-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.15
Rot. Bonds7

About 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid

5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid (PubChem CID 65254792) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
PubChem CID65254792
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
SMILESCN(CCCC(C)(C)C(=O)O)Cc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-15(2,14(18)19)9-6-10-17(3)11-12-7-4-5-8-13(12)16/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,19)
InChIKeyNWJISGCEISMZSC-UHFFFAOYSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide
CID 65259633
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
4-[(2-fluorophenyl)methyl-methylamino]-1-phenylbutan-1-one
CID 60692532
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
3-[(2-fluorophenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042443
3-[(2-fluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 61412681
2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128165
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid?
The IUPAC name of 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid (CID 65254792) is 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid is CN(CCCC(C)(C)C(=O)O)Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid?
The InChIKey is NWJISGCEISMZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(2,14(18)19)9-6-10-17(3)11-12-7-4-5-8-13(12)16/h4-5,7-8H,6,9-11H2,1-3H3,(H,18,19).
What are the key properties of 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid?
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid has a molecular weight of 267.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65254792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).