N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

C13H19FN2O — CID 81365967

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(8-15-3)13(17)16-10(2)11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyWUFXSUGXNVVKQH-AXDSSHIGSA-N
MW238.31 g/mol
LogP1.86
Rot. Bonds5

About N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 81365967) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID81365967
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O/c1-9(8-15-3)13(17)16-10(2)11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)/t9?,10-/m0/s1
InChIKeyWUFXSUGXNVVKQH-AXDSSHIGSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
3-amino-4-[1-(3-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 64894767
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195587
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 76897375
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid
CID 81365356
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (CID 81365967) is N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is WUFXSUGXNVVKQH-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(8-15-3)13(17)16-10(2)11-5-4-6-12(14)7-11/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)/t9?,10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 238.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 81365967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).