(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine

C18H18F3N — CID 20838992

IUPAC(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCN(C)C/C=C(/c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N/c1-22(2)12-11-17(14-7-4-3-5-8-14)15-9-6-10-16(13-15)18(19,20)21/h3-11,13H,12H2,1-2H3/b17-11-
InChIKeyZFJWHDDNODRIBG-BOPFTXTBSA-N
MW305.34 g/mol
LogP4.70
Rot. Bonds4

About (Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine

(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 20838992) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is (Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID20838992
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC Name(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCN(C)C/C=C(/c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N/c1-22(2)12-11-17(14-7-4-3-5-8-14)15-9-6-10-16(13-15)18(19,20)21/h3-11,13H,12H2,1-2H3/b17-11-
InChIKeyZFJWHDDNODRIBG-BOPFTXTBSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 20838992) is (Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine is CN(C)C/C=C(/c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is ZFJWHDDNODRIBG-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H18F3N/c1-22(2)12-11-17(14-7-4-3-5-8-14)15-9-6-10-16(13-15)18(19,20)21/h3-11,13H,12H2,1-2H3/b17-11-.
What are the key properties of (Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 305.34 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 20838992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).