(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine

C14H17NO2S — CID 171212249

IUPAC(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
SMILESCCOc1ccc([C@H](N)c2ccsc2)cc1OC
InChIInChI=1S/C14H17NO2S/c1-3-17-12-5-4-10(8-13(12)16-2)14(15)11-6-7-18-9-11/h4-9,14H,3,15H2,1-2H3/t14-/m0/s1
InChIKeyNFKNEONONBZYIW-AWEZNQCLSA-N
MW263.36 g/mol
LogP3.20
Rot. Bonds5

About (S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine

(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine (PubChem CID 171212249) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is (S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
PubChem CID171212249
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
SMILESCCOc1ccc([C@H](N)c2ccsc2)cc1OC
InChIInChI=1S/C14H17NO2S/c1-3-17-12-5-4-10(8-13(12)16-2)14(15)11-6-7-18-9-11/h4-9,14H,3,15H2,1-2H3/t14-/m0/s1
InChIKeyNFKNEONONBZYIW-AWEZNQCLSA-N
XLogP3.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171232632
(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171213015
5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171199311
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796
(5-bromo-2-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464834
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
(R)-(2-bromo-4,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 171198892
(R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine
CID 97288117
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086

Frequently Asked Questions

What is the IUPAC name of (S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine (CID 171212249) is (S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine is CCOc1ccc([C@H](N)c2ccsc2)cc1OC.
What is the InChIKey of (S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine?
The InChIKey is NFKNEONONBZYIW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-3-17-12-5-4-10(8-13(12)16-2)14(15)11-6-7-18-9-11/h4-9,14H,3,15H2,1-2H3/t14-/m0/s1.
What are the key properties of (S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine?
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171212249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).