N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C20H20F3N — CID 3057527

IUPACN-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(Cc1cccc(C(F)(F)F)c1)N(C)CC#Cc1ccccc1
InChIInChI=1S/C20H20F3N/c1-16(14-18-10-6-12-19(15-18)20(21,22)23)24(2)13-7-11-17-8-4-3-5-9-17/h3-6,8-10,12,15-16H,13-14H2,1-2H3
InChIKeyYVHZBJXOFFMTCF-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.62
Rot. Bonds4

About N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine

N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 3057527) has the molecular formula C20H20F3N and a molecular weight of 331.38 g/mol. Its IUPAC name is N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID3057527
Molecular FormulaC20H20F3N
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC NameN-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(Cc1cccc(C(F)(F)F)c1)N(C)CC#Cc1ccccc1
InChIInChI=1S/C20H20F3N/c1-16(14-18-10-6-12-19(15-18)20(21,22)23)24(2)13-7-11-17-8-4-3-5-9-17/h3-6,8-10,12,15-16H,13-14H2,1-2H3
InChIKeyYVHZBJXOFFMTCF-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 3057527) is N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is CC(Cc1cccc(C(F)(F)F)c1)N(C)CC#Cc1ccccc1.
What is the InChIKey of N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is YVHZBJXOFFMTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N/c1-16(14-18-10-6-12-19(15-18)20(21,22)23)24(2)13-7-11-17-8-4-3-5-9-17/h3-6,8-10,12,15-16H,13-14H2,1-2H3.
What are the key properties of N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 331.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 3057527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).