(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine

C15H17NS — CID 81408581

IUPAC(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
SMILESC[C@@H](NC/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C15H17NS/c1-13(15-10-6-12-17-15)16-11-5-9-14-7-3-2-4-8-14/h2-10,12-13,16H,11H2,1H3/b9-5+/t13-/m1/s1
InChIKeyPEASAGKHYDLVMD-OMDQHUAHSA-N
MW243.38 g/mol
LogP4.11
Rot. Bonds5

About (E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine

(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine (PubChem CID 81408581) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is (E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
PubChem CID81408581
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
SMILESC[C@@H](NC/C=C/c1ccccc1)c1cccs1
InChIInChI=1S/C15H17NS/c1-13(15-10-6-12-17-15)16-11-5-9-14-7-3-2-4-8-14/h2-10,12-13,16H,11H2,1H3/b9-5+/t13-/m1/s1
InChIKeyPEASAGKHYDLVMD-OMDQHUAHSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
2,2-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398287
(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336
2,2-difluoro-2-phenyl-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 104893383
(E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine
CID 112696883
(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine
CID 115890198
(Z)-2-ethyl-4-[[(1S)-1-thiophen-2-ylethyl]amino]but-2-enoic acid
CID 103257800
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
2-(3-phenylprop-2-enylamino)propane-1,3-diol
CID 77065033

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine (CID 81408581) is (E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine is C[C@@H](NC/C=C/c1ccccc1)c1cccs1.
What is the InChIKey of (E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine?
The InChIKey is PEASAGKHYDLVMD-OMDQHUAHSA-N. The full InChI is InChI=1S/C15H17NS/c1-13(15-10-6-12-17-15)16-11-5-9-14-7-3-2-4-8-14/h2-10,12-13,16H,11H2,1H3/b9-5+/t13-/m1/s1.
What are the key properties of (E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine?
(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine has a molecular weight of 243.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine is sourced from PubChem (CID 81408581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).