1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine

C19H26FN3 — CID 110826343

IUPAC1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)c1ccc(C(CNCc2ccc(F)cc2)N(C)C)cc1
InChIInChI=1S/C19H26FN3/c1-22(2)18-11-7-16(8-12-18)19(23(3)4)14-21-13-15-5-9-17(20)10-6-15/h5-12,19,21H,13-14H2,1-4H3
InChIKeyYJKDBWBJOPPPCB-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.28
Rot. Bonds7

About 1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine

1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 110826343) has the molecular formula C19H26FN3 and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID110826343
Molecular FormulaC19H26FN3
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)c1ccc(C(CNCc2ccc(F)cc2)N(C)C)cc1
InChIInChI=1S/C19H26FN3/c1-22(2)18-11-7-16(8-12-18)19(23(3)4)14-21-13-15-5-9-17(20)10-6-15/h5-12,19,21H,13-14H2,1-4H3
InChIKeyYJKDBWBJOPPPCB-UHFFFAOYSA-N
XLogP3.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 7495843
N'-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7639205
4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17123265
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 20962685
1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205416
1-(4-fluorophenyl)-N,N-dimethyl-N'-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 47052615
4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
CID 43758274
4-[[(4-fluoro-2-methylphenyl)methylamino]methyl]-N,N-dimethylaniline
CID 62123655
4-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]-N,N-dimethylaniline
CID 60956705
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 7497842
4-[(4-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105088233
3-[4-[[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]methyl]-N-methylanilino]propanenitrile
CID 9300138

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 110826343) is 1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine is CN(C)c1ccc(C(CNCc2ccc(F)cc2)N(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is YJKDBWBJOPPPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3/c1-22(2)18-11-7-16(8-12-18)19(23(3)4)14-21-13-15-5-9-17(20)10-6-15/h5-12,19,21H,13-14H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 315.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-N'-[(4-fluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 110826343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).