4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide

C15H24FN3O — CID 66431255

IUPAC4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide
SMILESCC(c1ccccc1F)N(C)C(CN)CC(=O)N(C)C
InChIInChI=1S/C15H24FN3O/c1-11(13-7-5-6-8-14(13)16)19(4)12(10-17)9-15(20)18(2)3/h5-8,11-12H,9-10,17H2,1-4H3
InChIKeyUNUUCDPDPCZSGT-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.62
Rot. Bonds6

About 4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide

4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide (PubChem CID 66431255) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide
PubChem CID66431255
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide
SMILESCC(c1ccccc1F)N(C)C(CN)CC(=O)N(C)C
InChIInChI=1S/C15H24FN3O/c1-11(13-7-5-6-8-14(13)16)19(4)12(10-17)9-15(20)18(2)3/h5-8,11-12H,9-10,17H2,1-4H3
InChIKeyUNUUCDPDPCZSGT-UHFFFAOYSA-N
XLogP1.62
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine
CID 62978792
4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide
CID 66427548
2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
CID 62985920
methyl 3-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylbutanoate
CID 79413938
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719
1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62978774
2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide
CID 54870514
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide (CID 66431255) is 4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide is CC(c1ccccc1F)N(C)C(CN)CC(=O)N(C)C.
What is the InChIKey of 4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide?
The InChIKey is UNUUCDPDPCZSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-11(13-7-5-6-8-14(13)16)19(4)12(10-17)9-15(20)18(2)3/h5-8,11-12H,9-10,17H2,1-4H3.
What are the key properties of 4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide?
4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide has a molecular weight of 281.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 66431255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).