(E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine

C19H20F3N — CID 171986961

IUPAC(E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
SMILESCN(C)CC/C=C(\c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3N/c1-23(2)14-8-12-16(15-9-4-3-5-10-15)17-11-6-7-13-18(17)19(20,21)22/h3-7,9-13H,8,14H2,1-2H3/b16-12+
InChIKeyILJVWIDKNCRUOG-FOWTUZBSSA-N
MW319.37 g/mol
LogP5.09
Rot. Bonds5

About (E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine

(E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine (PubChem CID 171986961) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is (E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
PubChem CID171986961
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name(E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine
SMILESCN(C)CC/C=C(\c1ccccc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3N/c1-23(2)14-8-12-16(15-9-4-3-5-10-15)17-11-6-7-13-18(17)19(20,21)22/h3-7,9-13H,8,14H2,1-2H3/b16-12+
InChIKeyILJVWIDKNCRUOG-FOWTUZBSSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 59499325
2-[(Z)-1,3-diphenylprop-1-enyl]-6-(trifluoromethyl)aniline
CID 68579329
2-(dimethylamino)ethyl 2-(trifluoromethyl)benzoate
CID 91693936
N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine
CID 135398356
(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 20838992
(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 6437916
3-[2-(dimethylamino)ethylsulfonyl]-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one
CID 54196339
2-[2-bromo-4-[3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enyl]sulfanylphenoxy]acetic acid
CID 68575487
4-(dimethylamino)-1-phenyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 163905024
(E)-N-ethoxy-1-phenyl-1-[2-(trifluoromethyl)phenyl]methanimine
CID 88957278
3-(2-methylphenyl)-3-phenylprop-2-en-1-amine
CID 131859830
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine (CID 171986961) is (E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine is CN(C)CC/C=C(\c1ccccc1)c1ccccc1C(F)(F)F.
What is the InChIKey of (E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine?
The InChIKey is ILJVWIDKNCRUOG-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H20F3N/c1-23(2)14-8-12-16(15-9-4-3-5-10-15)17-11-6-7-13-18(17)19(20,21)22/h3-7,9-13H,8,14H2,1-2H3/b16-12+.
What are the key properties of (E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine?
(E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine has a molecular weight of 319.37 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-4-phenyl-4-[2-(trifluoromethyl)phenyl]but-3-en-1-amine is sourced from PubChem (CID 171986961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).