(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride

C14H18ClNO3S — CID 171201055

IUPAC(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(OC)c([C@H](N)c2ccsc2)c(OC)c1.Cl
InChIInChI=1S/C14H17NO3S.ClH/c1-16-10-6-11(17-2)13(12(7-10)18-3)14(15)9-4-5-19-8-9;/h4-8,14H,15H2,1-3H3;1H/t14-;/m1./s1
InChIKeyAGYMBJBEBSLUEI-PFEQFJNWSA-N
MW315.82 g/mol
LogP3.24
Rot. Bonds5

About (S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride

(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride (PubChem CID 171201055) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is (S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
PubChem CID171201055
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(OC)c([C@H](N)c2ccsc2)c(OC)c1.Cl
InChIInChI=1S/C14H17NO3S.ClH/c1-16-10-6-11(17-2)13(12(7-10)18-3)14(15)9-4-5-19-8-9;/h4-8,14H,15H2,1-3H3;1H/t14-;/m1./s1
InChIKeyAGYMBJBEBSLUEI-PFEQFJNWSA-N
XLogP3.24
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
2-[(R)-amino(thiophen-3-yl)methyl]-3-methoxyphenol;hydrochloride
CID 171235945
(S)-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171214666
(S)-(2-fluoro-6-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171210655
(R)-(6-methoxynaphthalen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218929
5-[(S)-amino(thiophen-3-yl)methyl]-2-methoxyphenol;hydrochloride
CID 171199311
(S)-(3-bromo-4-methoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171205925
4-[(S)-amino(thiophen-3-yl)methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171206578
(R)-[2-methoxy-4-(trifluoromethoxy)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171236225
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
2-[(R)-amino(thiophen-3-yl)methyl]-4-methoxyphenol;hydrochloride
CID 171222266

Frequently Asked Questions

What is the IUPAC name of (S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride (CID 171201055) is (S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride is COc1cc(OC)c([C@H](N)c2ccsc2)c(OC)c1.Cl.
What is the InChIKey of (S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride?
The InChIKey is AGYMBJBEBSLUEI-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H17NO3S.ClH/c1-16-10-6-11(17-2)13(12(7-10)18-3)14(15)9-4-5-19-8-9;/h4-8,14H,15H2,1-3H3;1H/t14-;/m1./s1.
What are the key properties of (S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride?
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride has a molecular weight of 315.82 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171201055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).