3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol

C20H25NO — CID 174432305

IUPAC3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol
SMILESC/C=C(/c1cccc(O)c1)C(Cc1ccccc1)CN(C)C
InChIInChI=1S/C20H25NO/c1-4-20(17-11-8-12-19(22)14-17)18(15-21(2)3)13-16-9-6-5-7-10-16/h4-12,14,18,22H,13,15H2,1-3H3/b20-4-
InChIKeyUVAMLCWSLWHLMJ-YQLNASGTSA-N
MW295.43 g/mol
LogP4.22
Rot. Bonds6

About 3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol

3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol (PubChem CID 174432305) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol.

Molecular Properties

Compound Name3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol
PubChem CID174432305
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol
SMILESC/C=C(/c1cccc(O)c1)C(Cc1ccccc1)CN(C)C
InChIInChI=1S/C20H25NO/c1-4-20(17-11-8-12-19(22)14-17)18(15-21(2)3)13-16-9-6-5-7-10-16/h4-12,14,18,22H,13,15H2,1-3H3/b20-4-
InChIKeyUVAMLCWSLWHLMJ-YQLNASGTSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E,2S)-2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpent-3-en-1-amine;hydrochloride
CID 70008456
3-[(E)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride
CID 18974528
2-[(dimethylamino)methyl]-3-(4-fluorophenyl)-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 18767296
(2R)-2-benzyl-3-(dimethylamino)-1-phenylpropan-1-one
CID 97356031
2-benzyl-3-(dimethylamino)-1-naphthalen-2-ylpropan-1-one;hydrochloride
CID 18767247
2-[(3,4-difluorophenyl)methyl]-3-(dimethylamino)-1-(3-hydroxyphenyl)propan-1-one
CID 18767233
[3-[(4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenyl]methanol
CID 158251841
3-[2-benzyl-1-(dimethylamino)-3-hydroxypentan-3-yl]phenol;hydrochloride
CID 139941602
1-(3-hydroxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 56974178
3-[(Z)-3-(dimethylamino)-2-methyl-1-(4-phenylphenyl)prop-1-enyl]phenol;hydrochloride
CID 70255161
3-[[[2-(dimethylamino)-1-phenylethyl]amino]methyl]phenol
CID 43181834
(2S,3S)-3-benzyl-4-(dimethylamino)-2-phenylbutan-2-ol
CID 125467630

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol?
The IUPAC name of 3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol (CID 174432305) is 3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol.
What is the SMILES notation for 3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol?
The canonical SMILES for 3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol is C/C=C(/c1cccc(O)c1)C(Cc1ccccc1)CN(C)C.
What is the InChIKey of 3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol?
The InChIKey is UVAMLCWSLWHLMJ-YQLNASGTSA-N. The full InChI is InChI=1S/C20H25NO/c1-4-20(17-11-8-12-19(22)14-17)18(15-21(2)3)13-16-9-6-5-7-10-16/h4-12,14,18,22H,13,15H2,1-3H3/b20-4-.
What are the key properties of 3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol?
3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol has a molecular weight of 295.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-benzyl-5-(dimethylamino)pent-2-en-3-yl]phenol is sourced from PubChem (CID 174432305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).