(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide

C18H21FN2O2 — CID 10193260

IUPAC(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(18(22)20-2)21-11-14-6-8-17(9-7-14)23-12-15-4-3-5-16(19)10-15/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyRLHPBZNGBNCVBL-ZDUSSCGKSA-N
MW316.38 g/mol
LogP2.63
Rot. Bonds7

About (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide

(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide (PubChem CID 10193260) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
PubChem CID10193260
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)NCc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(18(22)20-2)21-11-14-6-8-17(9-7-14)23-12-15-4-3-5-16(19)10-15/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyRLHPBZNGBNCVBL-ZDUSSCGKSA-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

(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;methanesulfonic acid
CID 3038502
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347
(2S)-1-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propan-1-ol
CID 155791401
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine
CID 173136655
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,2-dimethylpropanamide
CID 37469359
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 120985182
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
CID 153327338
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494579
2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide;hydrochloride
CID 119283180
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-2-(furan-2-yl)acetamide
CID 46223823

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide (CID 10193260) is (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide is CNC(=O)[C@H](C)NCc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide?
The InChIKey is RLHPBZNGBNCVBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(18(22)20-2)21-11-14-6-8-17(9-7-14)23-12-15-4-3-5-16(19)10-15/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide?
(2S)-2-[[4-[(3-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 (2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide is sourced from PubChem (CID 10193260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).