2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide

C15H24FN3O — CID 107878275

IUPAC2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C15H24FN3O/c1-4-7-19(11-15(20)18(2)3)10-12-5-6-14(16)13(8-12)9-17/h5-6,8H,4,7,9-11,17H2,1-3H3
InChIKeyOLAASYCQJKENIP-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.58
Rot. Bonds7

About 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide

2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide (PubChem CID 107878275) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide
PubChem CID107878275
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1ccc(F)c(CN)c1
InChIInChI=1S/C15H24FN3O/c1-4-7-19(11-15(20)18(2)3)10-12-5-6-14(16)13(8-12)9-17/h5-6,8H,4,7,9-11,17H2,1-3H3
InChIKeyOLAASYCQJKENIP-UHFFFAOYSA-N
XLogP1.58
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-4-fluorobenzoic acid
CID 107452233
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 107878250
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
CID 114011928
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-ethylacetamide
CID 114011952
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 107878095
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107878711
2-[[3-(aminomethyl)-4-fluorophenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 63288245
2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
CID 62305807
2-[(3-cyanophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 54978960
2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 103760678
2-[2-(aminomethyl)-5-chloro-N-propylanilino]-N,N-dimethylacetamide
CID 63081456
2-[(4-cyano-3-methoxyphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 106788123

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide (CID 107878275) is 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)Cc1ccc(F)c(CN)c1.
What is the InChIKey of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is OLAASYCQJKENIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-7-19(11-15(20)18(2)3)10-12-5-6-14(16)13(8-12)9-17/h5-6,8H,4,7,9-11,17H2,1-3H3.
What are the key properties of 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide?
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 281.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-4-fluorophenyl]methyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 107878275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).