(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one

C17H18N2O — CID 102206203

IUPAC(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
SMILESCN(C)c1ccc(C(=O)/C=C(\N)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c1-19(2)15-10-8-14(9-11-15)17(20)12-16(18)13-6-4-3-5-7-13/h3-12H,18H2,1-2H3/b16-12-
InChIKeyLECQTBFMYWXFAJ-VBKFSLOCSA-N
MW266.34 g/mol
LogP2.94
Rot. Bonds4

About (Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one

(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one (PubChem CID 102206203) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
PubChem CID102206203
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
SMILESCN(C)c1ccc(C(=O)/C=C(\N)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c1-19(2)15-10-8-14(9-11-15)17(20)12-16(18)13-6-4-3-5-7-13/h3-12H,18H2,1-2H3/b16-12-
InChIKeyLECQTBFMYWXFAJ-VBKFSLOCSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
CID 173426238
(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
CID 102206205
(E)-3-[4-(dimethylamino)phenyl]-1,5-diphenylpent-2-ene-1,5-dione
CID 177497438
3-acetyl-1-[4-(dimethylamino)phenyl]pent-2-ene-1,4-dione
CID 13295314
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
4-(dimethylamino)-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
CID 3796469
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one (CID 102206203) is (Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one is CN(C)c1ccc(C(=O)/C=C(\N)c2ccccc2)cc1.
What is the InChIKey of (Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is LECQTBFMYWXFAJ-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19(2)15-10-8-14(9-11-15)17(20)12-16(18)13-6-4-3-5-7-13/h3-12H,18H2,1-2H3/b16-12-.
What are the key properties of (Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one?
(Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 266.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 102206203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).