(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine

C16H19NS — CID 110176187

IUPAC(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine
SMILESC/C(CN(C)C)=C(/c1ccccc1)c1cccs1
InChIInChI=1S/C16H19NS/c1-13(12-17(2)3)16(15-10-7-11-18-15)14-8-5-4-6-9-14/h4-11H,12H2,1-3H3/b16-13+
InChIKeyXBXDXFBRJBTLSQ-DTQAZKPQSA-N
MW257.40 g/mol
LogP4.13
Rot. Bonds4

About (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine

(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine (PubChem CID 110176187) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine
PubChem CID110176187
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine
SMILESC/C(CN(C)C)=C(/c1ccccc1)c1cccs1
InChIInChI=1S/C16H19NS/c1-13(12-17(2)3)16(15-10-7-11-18-15)14-8-5-4-6-9-14/h4-11H,12H2,1-3H3/b16-13+
InChIKeyXBXDXFBRJBTLSQ-DTQAZKPQSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-1,2-diphenyl-2-thiophen-2-ylethenyl]thiophene
CID 10688838
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
benzoic acid;ethane;1-thiophen-2-ylethanone
CID 158279091
1-phenyl-2-thiophen-2-ylethane-1,2-dione
CID 2175267
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
2-[carboxymethyl-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 63651794
(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine
CID 13167145
benzamide;thiophene-2-carboxamide
CID 174752818
N,N-diethylthiophene-2-carboxamide
CID 962897
2-methyl-1-phenyl-4-thiophen-2-ylbutane-1,4-dione
CID 2802249
N-methyl-2-oxo-N-phenyl-2-thiophen-2-ylacetamide
CID 82118278
2-phenyl-1-thiophen-2-ylprop-2-en-1-one
CID 3007406

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine (CID 110176187) is (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine is C/C(CN(C)C)=C(/c1ccccc1)c1cccs1.
What is the InChIKey of (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine?
The InChIKey is XBXDXFBRJBTLSQ-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H19NS/c1-13(12-17(2)3)16(15-10-7-11-18-15)14-8-5-4-6-9-14/h4-11H,12H2,1-3H3/b16-13+.
What are the key properties of (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine?
(E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine has a molecular weight of 257.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,2-trimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine is sourced from PubChem (CID 110176187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).