(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine

C19H19NO2S — CID 171232632

IUPAC(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1ccc([C@@H](N)c2ccsc2)cc1OCc1ccccc1
InChIInChI=1S/C19H19NO2S/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/t19-/m1/s1
InChIKeyYDCSVVHIFNWRAF-LJQANCHMSA-N
MW325.43 g/mol
LogP4.38
Rot. Bonds6

About (R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine

(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine (PubChem CID 171232632) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is (R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
PubChem CID171232632
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
SMILESCOc1ccc([C@@H](N)c2ccsc2)cc1OCc1ccccc1
InChIInChI=1S/C19H19NO2S/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/t19-/m1/s1
InChIKeyYDCSVVHIFNWRAF-LJQANCHMSA-N
XLogP4.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171213015
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981
(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171211288
(S)-(4-methoxy-3-phenylmethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171243977
(1R)-2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine
CID 66512512
(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
(1S,2R)-2-amino-1-cyclopropyl-2-(4-methoxy-3-phenylmethoxyphenyl)ethanol
CID 171264853
(1R)-2,2-difluoro-1-(3-methoxy-4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171244475
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
(3R)-3-amino-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-ol;hydrochloride
CID 171213030

Frequently Asked Questions

What is the IUPAC name of (R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine?
The IUPAC name of (R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine (CID 171232632) is (R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine.
What is the SMILES notation for (R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine?
The canonical SMILES for (R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine is COc1ccc([C@@H](N)c2ccsc2)cc1OCc1ccccc1.
What is the InChIKey of (R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine?
The InChIKey is YDCSVVHIFNWRAF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19NO2S/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/t19-/m1/s1.
What are the key properties of (R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine?
(R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine has a molecular weight of 325.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-methoxy-3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine is sourced from PubChem (CID 171232632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).