3-(4-phenylthiophen-2-yl)prop-2-en-1-amine

C13H13NS — CID 169464732

IUPAC3-(4-phenylthiophen-2-yl)prop-2-en-1-amine
SMILESNCC=Cc1cc(-c2ccccc2)cs1
InChIInChI=1S/C13H13NS/c14-8-4-7-13-9-12(10-15-13)11-5-2-1-3-6-11/h1-7,9-10H,8,14H2
InChIKeyZFRFMODPDILHAL-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.39
Rot. Bonds3

About 3-(4-phenylthiophen-2-yl)prop-2-en-1-amine

3-(4-phenylthiophen-2-yl)prop-2-en-1-amine (PubChem CID 169464732) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(4-phenylthiophen-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-phenylthiophen-2-yl)prop-2-en-1-amine
PubChem CID169464732
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name3-(4-phenylthiophen-2-yl)prop-2-en-1-amine
SMILESNCC=Cc1cc(-c2ccccc2)cs1
InChIInChI=1S/C13H13NS/c14-8-4-7-13-9-12(10-15-13)11-5-2-1-3-6-11/h1-7,9-10H,8,14H2
InChIKeyZFRFMODPDILHAL-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-phenyl-2-[(E)-prop-1-enyl]thiophene
CID 143380130
(Z)-3-(4-phenylthiophen-2-yl)prop-2-enamide
CID 170877143
4-phenylthiophen-2-amine;hydrochloride
CID 90309032
2,4-diphenylthiophene
CID 520616
(E)-N-(2,6-diethylphenyl)-3-(4-phenylthiophen-2-yl)prop-2-enamide
CID 45051002
(E)-3-(4-phenylthiophen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 166186509
[4-(4-phenylphenyl)thiophen-2-yl]hydrazine
CID 82056594
4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene
CID 118927379
3-amino-3-(4-phenylthiophen-2-yl)propanoic acid
CID 53417380
2-[(E)-but-1-enyl]-5-phenylthiophene
CID 70854669
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135
5-[(4-phenylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 47298359

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylthiophen-2-yl)prop-2-en-1-amine?
The IUPAC name of 3-(4-phenylthiophen-2-yl)prop-2-en-1-amine (CID 169464732) is 3-(4-phenylthiophen-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(4-phenylthiophen-2-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(4-phenylthiophen-2-yl)prop-2-en-1-amine is NCC=Cc1cc(-c2ccccc2)cs1.
What is the InChIKey of 3-(4-phenylthiophen-2-yl)prop-2-en-1-amine?
The InChIKey is ZFRFMODPDILHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c14-8-4-7-13-9-12(10-15-13)11-5-2-1-3-6-11/h1-7,9-10H,8,14H2.
What are the key properties of 3-(4-phenylthiophen-2-yl)prop-2-en-1-amine?
3-(4-phenylthiophen-2-yl)prop-2-en-1-amine has a molecular weight of 215.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylthiophen-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 169464732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).