3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine

C12H15F3N2 — CID 123356607

IUPAC3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine
SMILES[H]/N=C(\C)C(Cc1cc(F)c(F)c(F)c1)N(C)C
InChIInChI=1S/C12H15F3N2/c1-7(16)11(17(2)3)6-8-4-9(13)12(15)10(14)5-8/h4-5,11,16H,6H2,1-3H3/b16-7+
InChIKeyQCUDNPWWBWLFJQ-FRKPEAEDSA-N
MW244.26 g/mol
LogP2.62
Rot. Bonds4

About 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine

3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine (PubChem CID 123356607) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine.

Molecular Properties

Compound Name3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine
PubChem CID123356607
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine
SMILES[H]/N=C(\C)C(Cc1cc(F)c(F)c(F)c1)N(C)C
InChIInChI=1S/C12H15F3N2/c1-7(16)11(17(2)3)6-8-4-9(13)12(15)10(14)5-8/h4-5,11,16H,6H2,1-3H3/b16-7+
InChIKeyQCUDNPWWBWLFJQ-FRKPEAEDSA-N
XLogP2.62
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Fluoromethamphetamine
CID 11745017
3-Fluoro-N,alpha-dimethylbenzeneethanamine
CID 58216164
2-Fluoromethamphetamine
CID 24257263
N,N-dimethyl-2-(2-fluorophenyl)ethylamine
CID 22072908
N,N-Dimethyl-2-(3-fluorophenyl)ethylamine
CID 22072874
2-(4-fluorophenyl)-N,N-dimethylethanamine
CID 17809391
1-(2,4,5-Trifluorophenyl)propan-2-amine
CID 25094918
(R)-4-Fluoromethamphetamine
CID 11116435
(2R)-1-(3-fluorophenyl)-N-methylpropan-2-amine
CID 57483485
Benzeneethanamine, N-(2,2,2-trifluoro-1-methylethylidene)-
CID 580046
1-(2,4,6-Trifluorophenyl)propan-2-amine
CID 55253546
1-(2,4,5-Trifluorophenyl)butan-2-amine
CID 57437673

Frequently Asked Questions

What is the IUPAC name of 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine?
The IUPAC name of 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine (CID 123356607) is 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine.
What is the SMILES notation for 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine?
The canonical SMILES for 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine is [H]/N=C(\C)C(Cc1cc(F)c(F)c(F)c1)N(C)C.
What is the InChIKey of 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine?
The InChIKey is QCUDNPWWBWLFJQ-FRKPEAEDSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-7(16)11(17(2)3)6-8-4-9(13)12(15)10(14)5-8/h4-5,11,16H,6H2,1-3H3/b16-7+.
What are the key properties of 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine?
3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine has a molecular weight of 244.26 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N,N-dimethyl-1-(3,4,5-trifluorophenyl)butan-2-amine is sourced from PubChem (CID 123356607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).