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

C18H17NOS — CID 171211288

IUPAC(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H17NOS/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/t18-/m0/s1
InChIKeyBJUBQUZUOKANLU-SFHVURJKSA-N
MW295.41 g/mol
LogP4.38
Rot. Bonds5

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

(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine (PubChem CID 171211288) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
PubChem CID171211288
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
SMILESN[C@H](c1ccsc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H17NOS/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/t18-/m0/s1
InChIKeyBJUBQUZUOKANLU-SFHVURJKSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171211289
(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171232632
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171213015
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
1-(3-phenylmethoxyphenyl)but-3-yn-1-amine
CID 105077619
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
(3-propylphenyl)-thiophen-3-ylmethanamine
CID 116543884
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868

Frequently Asked Questions

What is the IUPAC name of (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine (CID 171211288) is (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine is N[C@H](c1ccsc1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine?
The InChIKey is BJUBQUZUOKANLU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17NOS/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/t18-/m0/s1.
What are the key properties of (S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine?
(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine has a molecular weight of 295.41 g/mol, XLogP of 4.38, 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 is sourced from PubChem (CID 171211288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).