4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride

C17H23Cl2FN2 — CID 17123265

IUPAC4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
SMILESCN(C)c1ccc(CNCCc2ccc(F)cc2)cc1.Cl.Cl
InChIInChI=1S/C17H21FN2.2ClH/c1-20(2)17-9-5-15(6-10-17)13-19-12-11-14-3-7-16(18)8-4-14;;/h3-10,19H,11-13H2,1-2H3;2*1H
InChIKeyRKLSPWRTYHYVKC-UHFFFAOYSA-N
MW345.29 g/mol
LogP4.07
Rot. Bonds6

About 4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride

4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride (PubChem CID 17123265) has the molecular formula C17H23Cl2FN2 and a molecular weight of 345.29 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
PubChem CID17123265
Molecular FormulaC17H23Cl2FN2
Molecular Weight345.29 g/mol
Exact Mass344.12
IUPAC Name4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
SMILESCN(C)c1ccc(CNCCc2ccc(F)cc2)cc1.Cl.Cl
InChIInChI=1S/C17H21FN2.2ClH/c1-20(2)17-9-5-15(6-10-17)13-19-12-11-14-3-7-16(18)8-4-14;;/h3-10,19H,11-13H2,1-2H3;2*1H
InChIKeyRKLSPWRTYHYVKC-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride
CID 53351243
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
CID 43758274
1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 110826343
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207419
N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
CID 17290940
4-fluoro-N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]aniline
CID 62436761
N,N-dimethyl-4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]aniline
CID 64546774
N-[(3,4-dichlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958378
N,N-dimethyl-4-[(4,4,4-trifluorobutylamino)methyl]aniline
CID 79039488

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride?
The IUPAC name of 4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride (CID 17123265) is 4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride?
The canonical SMILES for 4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride is CN(C)c1ccc(CNCCc2ccc(F)cc2)cc1.Cl.Cl.
What is the InChIKey of 4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride?
The InChIKey is RKLSPWRTYHYVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2.2ClH/c1-20(2)17-9-5-15(6-10-17)13-19-12-11-14-3-7-16(18)8-4-14;;/h3-10,19H,11-13H2,1-2H3;2*1H.
What are the key properties of 4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride?
4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride has a molecular weight of 345.29 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride is sourced from PubChem (CID 17123265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).