(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride

C17H19ClFN — CID 21116502

IUPAC(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C(/c1ccccc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H18FN.ClH/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-12H,13H2,1-2H3;1H/b17-12-;
InChIKeyHHVAAYJHSMKDFD-HBPAQXCTSA-N
MW291.80 g/mol
LogP4.24
Rot. Bonds4

About (Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride

(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 21116502) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID21116502
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C(/c1ccccc1)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H18FN.ClH/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-12H,13H2,1-2H3;1H/b17-12-;
InChIKeyHHVAAYJHSMKDFD-HBPAQXCTSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine
CID 12717111
(Z)-3-(4-chlorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 20838904
4-(dimethylamino)-2-(4-fluorophenyl)-1-phenylbut-2-en-1-ol
CID 54014137
(E)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 6437916
1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
CID 57258475
(E)-4-(4-fluorophenyl)-N-methyl-4-phenyl-N-(2-phenylethyl)but-3-en-1-amine
CID 6444436
(Z)-N,N-dimethyl-3-phenyl-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 20838992
N,N-dimethyl-3-[4-(3-methylbutylsulfanyl)phenyl]-3-phenylprop-2-en-1-amine
CID 54183305
1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
CID 172688289
(Z)-3-bromo-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6372024
4-[(E)-2-(4-fluorophenyl)-1-phenylethenyl]-N,N-dimethylaniline
CID 101071138

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride (CID 21116502) is (Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride is CN(C)C/C=C(/c1ccccc1)c1ccc(F)cc1.Cl.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is HHVAAYJHSMKDFD-HBPAQXCTSA-N. The full InChI is InChI=1S/C17H18FN.ClH/c1-19(2)13-12-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-12H,13H2,1-2H3;1H/b17-12-;.
What are the key properties of (Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride?
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 291.80 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 21116502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).