(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride

C14H18ClNOS — CID 171231254

IUPAC(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1c(C)cc([C@@H](N)c2ccsc2)cc1C.Cl
InChIInChI=1S/C14H17NOS.ClH/c1-9-6-12(7-10(2)14(9)16-3)13(15)11-4-5-17-8-11;/h4-8,13H,15H2,1-3H3;1H/t13-;/m0./s1
InChIKeyVCGLKXYSINSOGM-ZOWNYOTGSA-N
MW283.82 g/mol
LogP3.84
Rot. Bonds3

About (R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride

(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171231254) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is (R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171231254
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCOc1c(C)cc([C@@H](N)c2ccsc2)cc1C.Cl
InChIInChI=1S/C14H17NOS.ClH/c1-9-6-12(7-10(2)14(9)16-3)13(15)11-4-5-17-8-11;/h4-8,13H,15H2,1-3H3;1H/t13-;/m0./s1
InChIKeyVCGLKXYSINSOGM-ZOWNYOTGSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293171
(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293168
(4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine
CID 83056835
(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanamine
CID 43626602
(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
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride
CID 171235478

Frequently Asked Questions

What is the IUPAC name of (R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171231254) is (R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride is COc1c(C)cc([C@@H](N)c2ccsc2)cc1C.Cl.
What is the InChIKey of (R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is VCGLKXYSINSOGM-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H17NOS.ClH/c1-9-6-12(7-10(2)14(9)16-3)13(15)11-4-5-17-8-11;/h4-8,13H,15H2,1-3H3;1H/t13-;/m0./s1.
What are the key properties of (R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride?
(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171231254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).