N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride

C19H25ClFN2- — CID 53351243

IUPACN,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride
SMILESCCN(CC)c1ccc(CNCCc2ccc(F)cc2)cc1.[Cl-]
InChIInChI=1S/C19H25FN2.ClH/c1-3-22(4-2)19-11-7-17(8-12-19)15-21-14-13-16-5-9-18(20)10-6-16;/h5-12,21H,3-4,13-15H2,1-2H3;1H/p-1
InChIKeyWYIDAEGMERVGTG-UHFFFAOYSA-M
MW335.87 g/mol
LogP1.01
Rot. Bonds8

About N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride

N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride (PubChem CID 53351243) has the molecular formula C19H25ClFN2- and a molecular weight of 335.87 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride
PubChem CID53351243
Molecular FormulaC19H25ClFN2-
Molecular Weight335.87 g/mol
Exact Mass335.17
IUPAC NameN,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride
SMILESCCN(CC)c1ccc(CNCCc2ccc(F)cc2)cc1.[Cl-]
InChIInChI=1S/C19H25FN2.ClH/c1-3-22(4-2)19-11-7-17(8-12-19)15-21-14-13-16-5-9-18(20)10-6-16;/h5-12,21H,3-4,13-15H2,1-2H3;1H/p-1
InChIKeyWYIDAEGMERVGTG-UHFFFAOYSA-M
XLogP1.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.87
LogP ≤ 51.01
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

4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17123265
N,N-diethyl-4-[[2-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 4719727
N,N-diethyl-4-[(2-phenylethylamino)methyl]aniline;oxalic acid
CID 163327241
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
N,N-diethyl-4-fluoroaniline
CID 592416
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
N,N-diethyl-4-[[2-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]aniline
CID 64546177
N,N-diethyl-4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]aniline
CID 61214429
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
4-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N,N-diethylaniline
CID 17210231
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride?
The IUPAC name of N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride (CID 53351243) is N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride.
What is the SMILES notation for N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride?
The canonical SMILES for N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride is CCN(CC)c1ccc(CNCCc2ccc(F)cc2)cc1.[Cl-].
What is the InChIKey of N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride?
The InChIKey is WYIDAEGMERVGTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H25FN2.ClH/c1-3-22(4-2)19-11-7-17(8-12-19)15-21-14-13-16-5-9-18(20)10-6-16;/h5-12,21H,3-4,13-15H2,1-2H3;1H/p-1.
What are the key properties of N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride?
N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride has a molecular weight of 335.87 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride is sourced from PubChem (CID 53351243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).