1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride

C19H24ClNO — CID 22461789

IUPAC1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride
SMILESCN(C)C/C=C/c1ccc(C(O)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-20(2)14-6-9-16-10-12-18(13-11-16)19(21)15-17-7-4-3-5-8-17;/h3-13,19,21H,14-15H2,1-2H3;1H/b9-6+;
InChIKeyKKKZJLPMCGMYJL-MLBSPLJJSA-N
MW317.86 g/mol
LogP3.96
Rot. Bonds6

About 1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride

1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride (PubChem CID 22461789) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride.

Molecular Properties

Compound Name1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride
PubChem CID22461789
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride
SMILESCN(C)C/C=C/c1ccc(C(O)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C19H23NO.ClH/c1-20(2)14-6-9-16-10-12-18(13-11-16)19(21)15-17-7-4-3-5-8-17;/h3-13,19,21H,14-15H2,1-2H3;1H/b9-6+;
InChIKeyKKKZJLPMCGMYJL-MLBSPLJJSA-N
XLogP3.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1,2-diphenylethanol
CID 1379022
3-(4-chlorophenyl)-2-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]propanal
CID 174387751
3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 163540078
(Z)-N-benzyl-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 54603104
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
1-[4-(difluoromethyl)phenyl]-2-phenylethanol
CID 115524931
(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
CID 125466229
1-(4-methylsulfonylphenyl)-2-phenylethanol
CID 19073233
(2R)-2-amino-N-ethyl-3-phenyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50984163
(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol
CID 162404587
(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
CID 10729956
(E)-N-methyl-3-phenyl-N-[(3-prop-1-en-2-ylphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 18509453

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride?
The IUPAC name of 1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride (CID 22461789) is 1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride.
What is the SMILES notation for 1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride?
The canonical SMILES for 1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride is CN(C)C/C=C/c1ccc(C(O)Cc2ccccc2)cc1.Cl.
What is the InChIKey of 1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride?
The InChIKey is KKKZJLPMCGMYJL-MLBSPLJJSA-N. The full InChI is InChI=1S/C19H23NO.ClH/c1-20(2)14-6-9-16-10-12-18(13-11-16)19(21)15-17-7-4-3-5-8-17;/h3-13,19,21H,14-15H2,1-2H3;1H/b9-6+;.
What are the key properties of 1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride?
1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-(dimethylamino)prop-1-enyl]phenyl]-2-phenylethanol;hydrochloride is sourced from PubChem (CID 22461789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).