N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine

C12H15F3N2 — CID 102365313

IUPACN,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine
SMILESCN(C)CCC/N=C/c1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2/c1-17(2)7-3-6-16-8-9-4-5-10(13)12(15)11(9)14/h4-5,8H,3,6-7H2,1-2H3/b16-8+
InChIKeyYLUZAODKMXQFKU-LZYBPNLTSA-N
MW244.26 g/mol
LogP2.47
Rot. Bonds5

About N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine

N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine (PubChem CID 102365313) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine
PubChem CID102365313
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine
SMILESCN(C)CCC/N=C/c1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2/c1-17(2)7-3-6-16-8-9-4-5-10(13)12(15)11(9)14/h4-5,8H,3,6-7H2,1-2H3/b16-8+
InChIKeyYLUZAODKMXQFKU-LZYBPNLTSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-bis[3-(dimethylamino)propyliminomethyl]phenol
CID 136704302
2-[(4-fluorophenyl)methylideneamino]-N,N-dimethylethanamine
CID 102365312
5-(diethylamino)-2-[2-(dimethylamino)ethyliminomethyl]phenol
CID 136879981
cobalt;tris(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol;iron;hydrate
CID 162275151
2-[[2-(dimethylamino)ethyl-ethylamino]methyl]-6-[3-(dimethylamino)propyliminomethyl]-4-methylphenol
CID 139155758
2-bromo-6-[2-(dimethylamino)ethyliminomethyl]phenol
CID 137090728
dicopper;bis(4-chloro-2-[2-(dimethylamino)ethyliminomethyl]phenolate);diacetate
CID 139174487
2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 5232645
2-[(8-bromonaphthalen-1-yl)methylideneamino]-N,N-dimethylethanamine
CID 132933361
5-fluoro-2-[12-[(4-fluoro-2-oxidophenyl)methylideneamino]dodecyliminomethyl]phenolate;platinum(2+)
CID 139164235
N,N-dimethyl-2-[(2,3,4,5-tetrachlorophenyl)methylideneamino]ethanamine
CID 12048915
bis(N,N-dimethylformamide);bis(iron(3+));bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);dihydroxide
CID 139076139

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine (CID 102365313) is N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine is CN(C)CCC/N=C/c1ccc(F)c(F)c1F.
What is the InChIKey of N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine?
The InChIKey is YLUZAODKMXQFKU-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-17(2)7-3-6-16-8-9-4-5-10(13)12(15)11(9)14/h4-5,8H,3,6-7H2,1-2H3/b16-8+.
What are the key properties of N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine?
N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine has a molecular weight of 244.26 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2,3,4-trifluorophenyl)methylideneamino]propan-1-amine is sourced from PubChem (CID 102365313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).