2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide

C15H24FN3O — CID 107878631

IUPAC2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C15H24FN3O/c1-11(2)8-18-15(20)10-19(3)9-12-4-5-14(16)13(6-12)7-17/h4-6,11H,7-10,17H2,1-3H3,(H,18,20)
InChIKeyMFMLFMRVWQWXII-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.49
Rot. Bonds7

About 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide

2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 107878631) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide
PubChem CID107878631
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN(C)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C15H24FN3O/c1-11(2)8-18-15(20)10-19(3)9-12-4-5-14(16)13(6-12)7-17/h4-6,11H,7-10,17H2,1-3H3,(H,18,20)
InChIKeyMFMLFMRVWQWXII-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-ethylacetamide
CID 114011952
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 107878095
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 86976781
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 107878250
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 112685371
2-[(2-cyano-5-fluorophenyl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 107902919
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
2-[[3-(aminomethyl)-4-methoxyphenyl]methyl-methylamino]-N-propan-2-ylacetamide
CID 65338614
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 104513833
3-[[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]thiophene-2-carboxylic acid
CID 113409388
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107878711
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide
CID 107878275

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide (CID 107878631) is 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN(C)Cc1ccc(F)c(CN)c1.
What is the InChIKey of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is MFMLFMRVWQWXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-11(2)8-18-15(20)10-19(3)9-12-4-5-14(16)13(6-12)7-17/h4-6,11H,7-10,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide?
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 107878631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).