N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline

C16H17F3N2 — CID 105146542

IUPACN,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline
SMILESCNC(c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H17F3N2/c1-20-16(10-4-6-11(7-5-10)21(2)3)12-8-9-13(17)15(19)14(12)18/h4-9,16,20H,1-3H3
InChIKeyVHFUGPPQVBXIEF-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.48
Rot. Bonds4

About N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline

N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline (PubChem CID 105146542) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline
PubChem CID105146542
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC NameN,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline
SMILESCNC(c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C16H17F3N2/c1-20-16(10-4-6-11(7-5-10)21(2)3)12-8-9-13(17)15(19)14(12)18/h4-9,16,20H,1-3H3
InChIKeyVHFUGPPQVBXIEF-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.48
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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
4-[(4-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105088233
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline
CID 105094823
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 62965810
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105092995
1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513771
1-(2-methoxyphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963769
4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105323075
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115855144

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline (CID 105146542) is N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline is CNC(c1ccc(N(C)C)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline?
The InChIKey is VHFUGPPQVBXIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-20-16(10-4-6-11(7-5-10)21(2)3)12-8-9-13(17)15(19)14(12)18/h4-9,16,20H,1-3H3.
What are the key properties of N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline?
N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline has a molecular weight of 294.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline is sourced from PubChem (CID 105146542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).