2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide

C16H25FN2O2 — CID 107696657

IUPAC2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(F)cc1CNC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C16H25FN2O2/c1-11(15(20)19(5)6)21-14-8-7-13(17)9-12(14)10-18-16(2,3)4/h7-9,11,18H,10H2,1-6H3
InChIKeyKFOPXLHUZKPTCY-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.57
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide

2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide (PubChem CID 107696657) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide
PubChem CID107696657
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide
SMILESCC(Oc1ccc(F)cc1CNC(C)(C)C)C(=O)N(C)C
InChIInChI=1S/C16H25FN2O2/c1-11(15(20)19(5)6)21-14-8-7-13(17)9-12(14)10-18-16(2,3)4/h7-9,11,18H,10H2,1-6H3
InChIKeyKFOPXLHUZKPTCY-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
2-(2-acetyl-5-fluorophenoxy)-N,N-dimethylpropanamide
CID 55148420
3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol
CID 107696645
2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63062524
N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624
methyl 2-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]propanoate
CID 63055987
2-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 43277603
2-[4-methoxy-2-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 43276278
ethyl 2-[2-[(tert-butylamino)methyl]phenoxy]propanoate
CID 63062046
2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107695387
2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 63059657
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide (CID 107696657) is 2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide is CC(Oc1ccc(F)cc1CNC(C)(C)C)C(=O)N(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide?
The InChIKey is KFOPXLHUZKPTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11(15(20)19(5)6)21-14-8-7-13(17)9-12(14)10-18-16(2,3)4/h7-9,11,18H,10H2,1-6H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide?
2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide has a molecular weight of 296.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-N,N-dimethylpropanamide is sourced from PubChem (CID 107696657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).