(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide

C18H21FN2O2 — CID 119335132

IUPAC(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1cccc(F)c1C(C)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-12(17-14(19)9-6-10-16(17)23-2)21-18(22)15(20)11-13-7-4-3-5-8-13/h3-10,12,15H,11,20H2,1-2H3,(H,21,22)/t12?,15-/m0/s1
InChIKeyDMJRAFYODACSJU-CVRLYYSRSA-N
MW316.38 g/mol
LogP2.58
Rot. Bonds6

About (2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide

(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide (PubChem CID 119335132) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide
PubChem CID119335132
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide
SMILESCOc1cccc(F)c1C(C)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C18H21FN2O2/c1-12(17-14(19)9-6-10-16(17)23-2)21-18(22)15(20)11-13-7-4-3-5-8-13/h3-10,12,15H,11,20H2,1-2H3,(H,21,22)/t12?,15-/m0/s1
InChIKeyDMJRAFYODACSJU-CVRLYYSRSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119803788
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 120501620
2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 81374394
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-3-phenylpropanamide
CID 61178322
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803793
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 95968288
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2S)-2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272993
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide (CID 119335132) is (2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide is COc1cccc(F)c1C(C)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is DMJRAFYODACSJU-CVRLYYSRSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12(17-14(19)9-6-10-16(17)23-2)21-18(22)15(20)11-13-7-4-3-5-8-13/h3-10,12,15H,11,20H2,1-2H3,(H,21,22)/t12?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide?
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 316.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119335132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).