2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide

C18H21FN2O2 — CID 10064347

IUPAC2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(18(22)20-2)21-11-14-7-9-16(10-8-14)23-12-15-5-3-4-6-17(15)19/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyWGXNRJBCPJAUOL-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.63
Rot. Bonds7

About 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide

2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide (PubChem CID 10064347) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
PubChem CID10064347
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(18(22)20-2)21-11-14-7-9-16(10-8-14)23-12-15-5-3-4-6-17(15)19/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyWGXNRJBCPJAUOL-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
bis((2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide);methanesulfonic acid;hydrate
CID 54596588
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10193260
(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide
CID 54327325
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010216
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126127256
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-methylsulfonylaniline
CID 133477267
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 99124267

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide (CID 10064347) is 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide?
The InChIKey is WGXNRJBCPJAUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(18(22)20-2)21-11-14-7-9-16(10-8-14)23-12-15-5-3-4-6-17(15)19/h3-10,13,21H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide?
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide has a molecular weight of 316.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide is sourced from PubChem (CID 10064347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).