2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide

C15H24FN3O — CID 64770089

IUPAC2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C15H24FN3O/c1-4-19(5-2)15(20)11-18(3)10-13-8-14(16)7-6-12(13)9-17/h6-8H,4-5,9-11,17H2,1-3H3
InChIKeyFAARWRUGZVWBKF-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.58
Rot. Bonds7

About 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide

2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide (PubChem CID 64770089) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
PubChem CID64770089
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)Cc1cc(F)ccc1CN
InChIInChI=1S/C15H24FN3O/c1-4-19(5-2)15(20)11-18(3)10-13-8-14(16)7-6-12(13)9-17/h6-8H,4-5,9-11,17H2,1-3H3
InChIKeyFAARWRUGZVWBKF-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

2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 107878250
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N-methylacetamide
CID 64769499
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 64770262
ethyl 3-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]propanoate
CID 63380921
2-[(2-amino-5-fluorophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43443776
[4-fluoro-2-[[(4-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769510
2-[[2-(aminomethyl)-3-pyridinyl]methyl-methylamino]-N,N-diethylacetamide
CID 62893303
2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345821
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716
N,N-diethyl-2-[(4-hydroxyphenyl)methyl-methylamino]acetamide
CID 82973362
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide (CID 64770089) is 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)Cc1cc(F)ccc1CN.
What is the InChIKey of 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide?
The InChIKey is FAARWRUGZVWBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-19(5-2)15(20)11-18(3)10-13-8-14(16)7-6-12(13)9-17/h6-8H,4-5,9-11,17H2,1-3H3.
What are the key properties of 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide?
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide 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-[[2-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 64770089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).