(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide

C15H23FN2O — CID 61172862

IUPAC(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-5-10(2)14(17)15(19)18(4)11(3)12-8-6-7-9-13(12)16/h6-11,14H,5,17H2,1-4H3/t10?,11?,14-/m0/s1
InChIKeyANTDMUDIOWPNQW-MGULZYLOSA-N
MW266.36 g/mol
LogP2.72
Rot. Bonds5

About (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide

(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide (PubChem CID 61172862) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
PubChem CID61172862
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-5-10(2)14(17)15(19)18(4)11(3)12-8-6-7-9-13(12)16/h6-11,14H,5,17H2,1-4H3/t10?,11?,14-/m0/s1
InChIKeyANTDMUDIOWPNQW-MGULZYLOSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
CID 61164093
2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide
CID 104907700
3-amino-N-[1-(2-fluorophenyl)ethyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119710675
2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-methylamino]butanoic acid
CID 62984247
2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
CID 62985920
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol
CID 104840425
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
CID 86925373
(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
CID 99804367
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide (CID 61172862) is (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide is CCC(C)[C@H](N)C(=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide?
The InChIKey is ANTDMUDIOWPNQW-MGULZYLOSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-5-10(2)14(17)15(19)18(4)11(3)12-8-6-7-9-13(12)16/h6-11,14H,5,17H2,1-4H3/t10?,11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide?
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide has a molecular weight of 266.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 61172862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).