(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine

C14H17NOS — CID 78956495

IUPAC(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCc2ccsc2)cc1
InChIInChI=1S/C14H17NOS/c1-11(15)13-2-4-14(5-3-13)16-8-6-12-7-9-17-10-12/h2-5,7,9-11H,6,8,15H2,1H3/t11-/m1/s1
InChIKeyBNPVDKZGZNTSDF-LLVKDONJSA-N
MW247.36 g/mol
LogP3.39
Rot. Bonds5

About (1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine

(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine (PubChem CID 78956495) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
PubChem CID78956495
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCc2ccsc2)cc1
InChIInChI=1S/C14H17NOS/c1-11(15)13-2-4-14(5-3-13)16-8-6-12-7-9-17-10-12/h2-5,7,9-11H,6,8,15H2,1H3/t11-/m1/s1
InChIKeyBNPVDKZGZNTSDF-LLVKDONJSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene
CID 64763301
1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 16785512
(1R)-1-[3-(2-thiophen-3-ylethoxy)phenyl]ethanol
CID 78956541
1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 55170164
(1S)-1-[4-(2-fluoroethoxy)phenyl]ethanamine
CID 80699771
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
1-[4-(2-propan-2-yloxyethoxy)phenyl]ethanamine
CID 43189064
1-[4-(3-phenoxypropoxy)phenyl]ethanamine
CID 13012117
(1R)-1-[4-(3-fluoropropoxy)phenyl]ethanamine
CID 78960972
N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide
CID 101025085
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
(1S)-1-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 55190084

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine (CID 78956495) is (1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(OCCc2ccsc2)cc1.
What is the InChIKey of (1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine?
The InChIKey is BNPVDKZGZNTSDF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(15)13-2-4-14(5-3-13)16-8-6-12-7-9-17-10-12/h2-5,7,9-11H,6,8,15H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine?
(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 78956495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).