3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride

C14H24Cl2FN3O — CID 119886373

IUPAC3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1ccc(F)c(CN(C)C)c1.Cl.Cl
InChIInChI=1S/C14H22FN3O.2ClH/c1-10(16)6-14(19)17-8-11-4-5-13(15)12(7-11)9-18(2)3;;/h4-5,7,10H,6,8-9,16H2,1-3H3,(H,17,19);2*1H
InChIKeyDDBQRCCXCRNNLC-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.08
Rot. Bonds6

About 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride

3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride (PubChem CID 119886373) has the molecular formula C14H24Cl2FN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride
PubChem CID119886373
Molecular FormulaC14H24Cl2FN3O
Molecular Weight340.27 g/mol
Exact Mass339.13
IUPAC Name3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCc1ccc(F)c(CN(C)C)c1.Cl.Cl
InChIInChI=1S/C14H22FN3O.2ClH/c1-10(16)6-14(19)17-8-11-4-5-13(15)12(7-11)9-18(2)3;;/h4-5,7,10H,6,8-9,16H2,1-3H3,(H,17,19);2*1H
InChIKeyDDBQRCCXCRNNLC-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 119886328
1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886313
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119886342
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119886350
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(3-hydroxybutyl)urea
CID 111414486
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea
CID 111412022
3-amino-N-[(2,4-difluorophenyl)methyl]butanamide;hydrochloride
CID 119708041
3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
CID 119673570
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111538780
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886335
N-[(3,4-difluorophenyl)methyl]-3-methylbutanamide
CID 110781014

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride (CID 119886373) is 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride is CC(N)CC(=O)NCc1ccc(F)c(CN(C)C)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride?
The InChIKey is DDBQRCCXCRNNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O.2ClH/c1-10(16)6-14(19)17-8-11-4-5-13(15)12(7-11)9-18(2)3;;/h4-5,7,10H,6,8-9,16H2,1-3H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride?
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride has a molecular weight of 340.27 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119886373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).