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

C18H18ClNOS — CID 171211289

IUPAC(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H17NOS.ClH/c19-18(16-9-10-21-13-16)15-7-4-8-17(11-15)20-12-14-5-2-1-3-6-14;/h1-11,13,18H,12,19H2;1H/t18-;/m0./s1
InChIKeyOLXWYCOZRAVHHV-FERBBOLQSA-N
MW331.87 g/mol
LogP4.80
Rot. Bonds5

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

(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171211289) has the molecular formula C18H18ClNOS and a molecular weight of 331.87 g/mol. Its IUPAC name is (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171211289
Molecular FormulaC18H18ClNOS
Molecular Weight331.87 g/mol
Exact Mass331.08
IUPAC Name(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccsc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H17NOS.ClH/c19-18(16-9-10-21-13-16)15-7-4-8-17(11-15)20-12-14-5-2-1-3-6-14;/h1-11,13,18H,12,19H2;1H/t18-;/m0./s1
InChIKeyOLXWYCOZRAVHHV-FERBBOLQSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171211288
(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171213015
(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171232632
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
1-(3-phenylmethoxyphenyl)but-3-yn-1-amine
CID 105077619
(R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171228385
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248

Frequently Asked Questions

What is the IUPAC name of (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171211289) is (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccsc1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is OLXWYCOZRAVHHV-FERBBOLQSA-N. The full InChI is InChI=1S/C18H17NOS.ClH/c19-18(16-9-10-21-13-16)15-7-4-8-17(11-15)20-12-14-5-2-1-3-6-14;/h1-11,13,18H,12,19H2;1H/t18-;/m0./s1.
What are the key properties of (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171211289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).