1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride

C14H22Cl2FN3O — CID 119886313

IUPAC1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCN(C)Cc1cc(CNC(=O)C2(N)CC2)ccc1F.Cl.Cl
InChIInChI=1S/C14H20FN3O.2ClH/c1-18(2)9-11-7-10(3-4-12(11)15)8-17-13(19)14(16)5-6-14;;/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19);2*1H
InChIKeyFDYWWLYMIQUTFA-UHFFFAOYSA-N
MW338.25 g/mol
LogP1.84
Rot. Bonds5

About 1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119886313) has the molecular formula C14H22Cl2FN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119886313
Molecular FormulaC14H22Cl2FN3O
Molecular Weight338.25 g/mol
Exact Mass337.11
IUPAC Name1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCN(C)Cc1cc(CNC(=O)C2(N)CC2)ccc1F.Cl.Cl
InChIInChI=1S/C14H20FN3O.2ClH/c1-18(2)9-11-7-10(3-4-12(11)15)8-17-13(19)14(16)5-6-14;;/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19);2*1H
InChIKeyFDYWWLYMIQUTFA-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119842475
1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 65465374
2-(4-aminophenyl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 119886328
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea
CID 111412022
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride
CID 119886373
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886335
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea
CID 111414486
(3S,4S)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120941768
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111538780
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-[2-(dimethylamino)pyrimidin-5-yl]urea
CID 84589471
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95628532
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119886342

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119886313) is 1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride is CN(C)Cc1cc(CNC(=O)C2(N)CC2)ccc1F.Cl.Cl.
What is the InChIKey of 1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is FDYWWLYMIQUTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O.2ClH/c1-18(2)9-11-7-10(3-4-12(11)15)8-17-13(19)14(16)5-6-14;;/h3-4,7H,5-6,8-9,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 338.25 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119886313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).