2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide

C13H19FN2O — CID 62985920

IUPAC2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-4-12(13(15)17)16(3)9(2)10-7-5-6-8-11(10)14/h5-9,12H,4H2,1-3H3,(H2,15,17)
InChIKeyFXBOORJQDXCQTC-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.08
Rot. Bonds5

About 2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide

2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide (PubChem CID 62985920) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
PubChem CID62985920
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-4-12(13(15)17)16(3)9(2)10-7-5-6-8-11(10)14/h5-9,12H,4H2,1-3H3,(H2,15,17)
InChIKeyFXBOORJQDXCQTC-UHFFFAOYSA-N
XLogP2.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]-methylamino]butanoic acid
CID 62984247
3-amino-2-[1-(2-fluorophenyl)ethyl-methylamino]pentan-1-ol
CID 104840425
methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate
CID 79413938
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862
4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide
CID 66431255
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
2-[1-(2-bromophenyl)ethyl-methylamino]butanoic acid
CID 65067636
3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
CID 62979298
2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
1-(2-fluorophenyl)propan-1-amine
CID 18439474
(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
CID 99804367
2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide?
The IUPAC name of 2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide (CID 62985920) is 2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide is CCC(C(N)=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide?
The InChIKey is FXBOORJQDXCQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-12(13(15)17)16(3)9(2)10-7-5-6-8-11(10)14/h5-9,12H,4H2,1-3H3,(H2,15,17).
What are the key properties of 2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide?
2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide has a molecular weight of 238.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide is sourced from PubChem (CID 62985920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).