N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine

C20H18F3N — CID 70679979

IUPACN-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine
SMILESC=CCN(C)C(C#Cc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N/c1-3-15-24(2)19(14-13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)20(21,22)23/h3-12,19H,1,15H2,2H3
InChIKeyGKQWTMXJGPOHIQ-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.92
Rot. Bonds4

About N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine

N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine (PubChem CID 70679979) has the molecular formula C20H18F3N and a molecular weight of 329.37 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine
PubChem CID70679979
Molecular FormulaC20H18F3N
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine
SMILESC=CCN(C)C(C#Cc1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N/c1-3-15-24(2)19(14-13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)20(21,22)23/h3-12,19H,1,15H2,2H3
InChIKeyGKQWTMXJGPOHIQ-UHFFFAOYSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 1549008
CID 1549008
CID 5311017
CID 5311017
CID 2341
CID 2341
CID 11558159
CID 11558159
CID 443970
CID 443970
CID 440630
CID 440630
CID 18790196
CID 18790196
CID 22779
CID 22779
CID 792368
CID 792368
CID 6618797
CID 6618797
CID 5402
CID 5402
CID 10963421
CID 10963421

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine?
The IUPAC name of N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine (CID 70679979) is N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine?
The canonical SMILES for N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine is C=CCN(C)C(C#Cc1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine?
The InChIKey is GKQWTMXJGPOHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N/c1-3-15-24(2)19(14-13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)20(21,22)23/h3-12,19H,1,15H2,2H3.
What are the key properties of N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine?
N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine has a molecular weight of 329.37 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 70679979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).