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

C18H19ClF3N — CID 6437916

IUPAC(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C(\c1ccccc1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H18F3N.ClH/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;1H/b17-11+;
InChIKeyBJAPFJYWQGURRJ-SJDTYFKWSA-N
MW341.80 g/mol
LogP5.12
Rot. Bonds4

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

(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride (PubChem CID 6437916) has the molecular formula C18H19ClF3N and a molecular weight of 341.80 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
PubChem CID6437916
Molecular FormulaC18H19ClF3N
Molecular Weight341.80 g/mol
Exact Mass341.12
IUPAC Name(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C(\c1ccccc1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H18F3N.ClH/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;1H/b17-11+;
InChIKeyBJAPFJYWQGURRJ-SJDTYFKWSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.80
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 20838992
N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine
CID 135398356
1-[(E)-2-fluoro-1-(4-methylphenyl)ethenyl]-3-(trifluoromethyl)benzene
CID 102166579
5-phenyl-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91238764
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 68849939
N,N-dimethyl-3-(trifluoromethyl)benzenecarbothioamide
CID 147361423
(E)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]prop-2-ene-1-thione
CID 10999779
(2Z,4E)-2-benzoyl-5-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]penta-2,4-dienenitrile
CID 10317065
(Z)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 67946359
(Z)-1-benzylsulfanyl-4-(dimethylamino)-3-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 12931828
N,N,4,4,5-pentamethyl-3-phenylhex-2-en-1-amine
CID 71320673

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride (CID 6437916) is (E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride is CN(C)C/C=C(\c1ccccc1)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of (E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride?
The InChIKey is BJAPFJYWQGURRJ-SJDTYFKWSA-N. The full InChI is InChI=1S/C18H18F3N.ClH/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;1H/b17-11+;.
What are the key properties of (E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride?
(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride has a molecular weight of 341.80 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 6437916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).