4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide

C15H24FN3O — CID 66431998

IUPAC4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)N(C)Cc1ccccc1F
InChIInChI=1S/C15H24FN3O/c1-11(2)18-15(20)8-13(9-17)19(3)10-12-6-4-5-7-14(12)16/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,20)
InChIKeyONBKULXYVVJFAB-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.50
Rot. Bonds7

About 4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide

4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide (PubChem CID 66431998) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide
PubChem CID66431998
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)N(C)Cc1ccccc1F
InChIInChI=1S/C15H24FN3O/c1-11(2)18-15(20)8-13(9-17)19(3)10-12-6-4-5-7-14(12)16/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,20)
InChIKeyONBKULXYVVJFAB-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[methyl(pyridin-2-ylmethyl)amino]-N-propan-2-ylbutanamide
CID 66430158
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108
4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 81070310
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-4-methylsulfanylbutane-1,2-diamine
CID 61412209
4-amino-3-[2-(dimethylamino)ethyl-methylamino]-N-propan-2-ylbutanamide
CID 66430981
3-[(2-fluorophenyl)methyl-methylamino]butan-2-one
CID 62037501
4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide
CID 66428224
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
(2R)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517819
(2S)-N-(2-fluorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 8517815

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide (CID 66431998) is 4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(CN)N(C)Cc1ccccc1F.
What is the InChIKey of 4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide?
The InChIKey is ONBKULXYVVJFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-11(2)18-15(20)8-13(9-17)19(3)10-12-6-4-5-7-14(12)16/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide?
4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide has a molecular weight of 281.38 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-fluorophenyl)methyl-methylamino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 66431998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).