2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide

C14H21FN2O2 — CID 119127723

IUPAC2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide
SMILESCOc1ccc(CNC(C(N)=O)C(C)(C)C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)12(13(16)18)17-8-9-5-6-11(19-4)10(15)7-9/h5-7,12,17H,8H2,1-4H3,(H2,16,18)
InChIKeyUCEPTVYNMHOHTJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.82
Rot. Bonds5

About 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide

2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide (PubChem CID 119127723) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide
PubChem CID119127723
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide
SMILESCOc1ccc(CNC(C(N)=O)C(C)(C)C)cc1F
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)12(13(16)18)17-8-9-5-6-11(19-4)10(15)7-9/h5-7,12,17H,8H2,1-4H3,(H2,16,18)
InChIKeyUCEPTVYNMHOHTJ-UHFFFAOYSA-N
XLogP1.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-fluorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124785
2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124787
2-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylbutanoic acid
CID 115250315
2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119127733
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]-3,3-dimethylbutanamide
CID 99825957
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
3-[(3-fluoro-4-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 111448490
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158215
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
2-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 110779980
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 86777077

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide (CID 119127723) is 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide is COc1ccc(CNC(C(N)=O)C(C)(C)C)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide?
The InChIKey is UCEPTVYNMHOHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,3)12(13(16)18)17-8-9-5-6-11(19-4)10(15)7-9/h5-7,12,17H,8H2,1-4H3,(H2,16,18).
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide?
2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide has a molecular weight of 268.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide is sourced from PubChem (CID 119127723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).