(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine

C14H17NOS — CID 78932960

IUPAC(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1cccs1
InChIInChI=1S/C14H17NOS/c1-2-13(15)12-7-3-4-8-14(12)16-10-11-6-5-9-17-11/h3-9,13H,2,10,15H2,1H3/t13-/m0/s1
InChIKeyHJAIHRQDMILDCS-ZDUSSCGKSA-N
MW247.36 g/mol
LogP3.74
Rot. Bonds5

About (1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine

(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine (PubChem CID 78932960) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is (1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
PubChem CID78932960
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1cccs1
InChIInChI=1S/C14H17NOS/c1-2-13(15)12-7-3-4-8-14(12)16-10-11-6-5-9-17-11/h3-9,13H,2,10,15H2,1H3/t13-/m0/s1
InChIKeyHJAIHRQDMILDCS-ZDUSSCGKSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[(5-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 55189899
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 63366322
1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine
CID 104660039
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61484148
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 55190081

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine (CID 78932960) is (1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCc1cccs1.
What is the InChIKey of (1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine?
The InChIKey is HJAIHRQDMILDCS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-13(15)12-7-3-4-8-14(12)16-10-11-6-5-9-17-11/h3-9,13H,2,10,15H2,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine?
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine has a molecular weight of 247.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 78932960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).