(E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride

C15H18ClNS — CID 6445839

IUPAC(E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C(\c1ccccc1)c1cccs1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-16(2)11-10-14(15-9-6-12-17-15)13-7-4-3-5-8-13;/h3-10,12H,11H2,1-2H3;1H/b14-10+;
InChIKeyYQMVSSRSBZJWRZ-KMZJGFRYSA-N
MW279.84 g/mol
LogP4.16
Rot. Bonds4

About (E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride

(E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride (PubChem CID 6445839) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride
PubChem CID6445839
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name(E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride
SMILESCN(C)C/C=C(\c1ccccc1)c1cccs1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-16(2)11-10-14(15-9-6-12-17-15)13-7-4-3-5-8-13;/h3-10,12H,11H2,1-2H3;1H/b14-10+;
InChIKeyYQMVSSRSBZJWRZ-KMZJGFRYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenylthiophene
CID 75473
2-Phenylthiophene
CID 69999
(S)-1-Propyl-3-(3-thiophen-3-yl-phenyl)-piperidine
CID 11778702
1-(3-Phenyl-cyclohex-3-enylmethyl)-4-thiophen-2-yl-1,2,3,6-tetrahydro-pyridine
CID 9974231
2-(4-Methylphenyl)thiophene
CID 4128466
Dithiaden
CID 6436111
Dipropyl-(4,5,6,7-tetrahydro-benzo[b]thiophen-5-ylmethyl)-amine
CID 10879566
Dipropyl-(4,5,6,7-tetrahydro-benzo[b]thiophen-6-ylmethyl)-amine
CID 10988746
10-Methyl-6-thia-10-azatricyclo[11.4.0.03,7]heptadeca-1(17),3(7),4,13,15-pentaene
CID 11637457
N-methyl-N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156009944
N-ethyl-N-(4-phenylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156017353
N-ethyl-N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156018949

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride (CID 6445839) is (E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride is CN(C)C/C=C(\c1ccccc1)c1cccs1.Cl.
What is the InChIKey of (E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride?
The InChIKey is YQMVSSRSBZJWRZ-KMZJGFRYSA-N. The full InChI is InChI=1S/C15H17NS.ClH/c1-16(2)11-10-14(15-9-6-12-17-15)13-7-4-3-5-8-13;/h3-10,12H,11H2,1-2H3;1H/b14-10+;.
What are the key properties of (E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride?
(E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-phenyl-3-thiophen-2-ylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 6445839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).