(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride

C19H20ClNO2S — CID 171213015

IUPAC(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1ccc([C@H](N)c2ccsc2)cc1OCc1ccccc1.Cl
InChIInChI=1S/C19H19NO2S.ClH/c1-21-17-8-7-15(19(20)16-9-10-23-13-16)11-18(17)22-12-14-5-3-2-4-6-14;/h2-11,13,19H,12,20H2,1H3;1H/t19-;/m0./s1
InChIKeyODFYMINWICRQOM-FYZYNONXSA-N
MW361.89 g/mol
LogP4.81
Rot. Bonds6

About (S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride

(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171213015) has the molecular formula C19H20ClNO2S and a molecular weight of 361.89 g/mol. Its IUPAC name is (S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171213015
Molecular FormulaC19H20ClNO2S
Molecular Weight361.89 g/mol
Exact Mass361.09
IUPAC Name(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1ccc([C@H](N)c2ccsc2)cc1OCc1ccccc1.Cl
InChIInChI=1S/C19H19NO2S.ClH/c1-21-17-8-7-15(19(20)16-9-10-23-13-16)11-18(17)22-12-14-5-3-2-4-6-14;/h2-11,13,19H,12,20H2,1H3;1H/t19-;/m0./s1
InChIKeyODFYMINWICRQOM-FYZYNONXSA-N
XLogP4.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171232632
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
(S)-(4-methoxy-3-phenylmethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171243977
(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171211288
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171199311
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(1R)-3-fluoro-1-(4-methoxy-3-phenylmethoxyphenyl)propan-1-amine
CID 171213002
(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171232603

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171213015) is (S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is COc1ccc([C@H](N)c2ccsc2)cc1OCc1ccccc1.Cl.
What is the InChIKey of (S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is ODFYMINWICRQOM-FYZYNONXSA-N. The full InChI is InChI=1S/C19H19NO2S.ClH/c1-21-17-8-7-15(19(20)16-9-10-23-13-16)11-18(17)22-12-14-5-3-2-4-6-14;/h2-11,13,19H,12,20H2,1H3;1H/t19-;/m0./s1.
What are the key properties of (S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 361.89 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171213015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).