(Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol

C17H19NO — CID 177412233

IUPAC(Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol
SMILESCC(O)/C(=C\c1ccccc1)CNc1ccccc1
InChIInChI=1S/C17H19NO/c1-14(19)16(12-15-8-4-2-5-9-15)13-18-17-10-6-3-7-11-17/h2-12,14,18-19H,13H2,1H3/b16-12-
InChIKeyWGBDGJHNJLZCAO-VBKFSLOCSA-N
MW253.35 g/mol
LogP3.56
Rot. Bonds5

About (Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol

(Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol (PubChem CID 177412233) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol
PubChem CID177412233
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol
SMILESCC(O)/C(=C\c1ccccc1)CNc1ccccc1
InChIInChI=1S/C17H19NO/c1-14(19)16(12-15-8-4-2-5-9-15)13-18-17-10-6-3-7-11-17/h2-12,14,18-19H,13H2,1H3/b16-12-
InChIKeyWGBDGJHNJLZCAO-VBKFSLOCSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-3-benzylidenepentan-2-ol
CID 135080947
N-[(E)-2,3-diphenylprop-2-enyl]aniline
CID 101023407
2-anilino-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129431732
(E,2S)-3,4-diphenylbut-3-en-2-ol
CID 177489258
(2S,3R)-2-[(2-anilinoacetyl)amino]-3-hydroxybutanoic acid
CID 104965238
2-anilino-N-(4-hydroxypentan-2-yl)acetamide
CID 113376266
(2-chloro-3,3-difluoroprop-1-enyl)benzene
CID 175913510
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
(E)-2,3-diphenyl-N-propan-2-ylprop-2-en-1-amine
CID 11402493
2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 4521750
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
CID 75598908

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol?
The IUPAC name of (Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol (CID 177412233) is (Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol?
The canonical SMILES for (Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol is CC(O)/C(=C\c1ccccc1)CNc1ccccc1.
What is the InChIKey of (Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol?
The InChIKey is WGBDGJHNJLZCAO-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(19)16(12-15-8-4-2-5-9-15)13-18-17-10-6-3-7-11-17/h2-12,14,18-19H,13H2,1H3/b16-12-.
What are the key properties of (Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol?
(Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol has a molecular weight of 253.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(anilinomethyl)-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 177412233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).