2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride

C12H20Cl2FN3O — CID 119896383

IUPAC2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
SMILESCN(CCNC(=O)CN)Cc1ccc(F)cc1.Cl.Cl
InChIInChI=1S/C12H18FN3O.2ClH/c1-16(7-6-15-12(17)8-14)9-10-2-4-11(13)5-3-10;;/h2-5H,6-9,14H2,1H3,(H,15,17);2*1H
InChIKeyROKGTRKZBRSKJA-UHFFFAOYSA-N
MW312.22 g/mol
LogP1.18
Rot. Bonds6

About 2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride

2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride (PubChem CID 119896383) has the molecular formula C12H20Cl2FN3O and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
PubChem CID119896383
Molecular FormulaC12H20Cl2FN3O
Molecular Weight312.22 g/mol
Exact Mass311.10
IUPAC Name2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
SMILESCN(CCNC(=O)CN)Cc1ccc(F)cc1.Cl.Cl
InChIInChI=1S/C12H18FN3O.2ClH/c1-16(7-6-15-12(17)8-14)9-10-2-4-11(13)5-3-10;;/h2-5H,6-9,14H2,1H3,(H,15,17);2*1H
InChIKeyROKGTRKZBRSKJA-UHFFFAOYSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
CID 119896354
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea
CID 154749821
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111751267
2-amino-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 56832115
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide
CID 111752415
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896389
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(3-methylbutyl)guanidine
CID 111752434
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111751057
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide
CID 122145910
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride (CID 119896383) is 2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride is CN(CCNC(=O)CN)Cc1ccc(F)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride?
The InChIKey is ROKGTRKZBRSKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O.2ClH/c1-16(7-6-15-12(17)8-14)9-10-2-4-11(13)5-3-10;;/h2-5H,6-9,14H2,1H3,(H,15,17);2*1H.
What are the key properties of 2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride?
2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride has a molecular weight of 312.22 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119896383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).