(R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride

C17H16ClNOS — CID 171228385

IUPAC(R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(Oc2ccccc2)cc1)c1ccsc1
InChIInChI=1S/C17H15NOS.ClH/c18-17(14-10-11-20-12-14)13-6-8-16(9-7-13)19-15-4-2-1-3-5-15;/h1-12,17H,18H2;1H/t17-;/m1./s1
InChIKeyAZEDKQYQBQKAMO-UNTBIKODSA-N
MW317.84 g/mol
LogP5.01
Rot. Bonds4

About (R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride

(R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (PubChem CID 171228385) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is (R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
PubChem CID171228385
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name(R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
SMILESCl.N[C@H](c1ccc(Oc2ccccc2)cc1)c1ccsc1
InChIInChI=1S/C17H15NOS.ClH/c18-17(14-10-11-20-12-14)13-6-8-16(9-7-13)19-15-4-2-1-3-5-15;/h1-12,17H,18H2;1H/t17-;/m1./s1
InChIKeyAZEDKQYQBQKAMO-UNTBIKODSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.84
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773
(R)-(4-ethoxyphenyl)-thiophen-3-ylmethanamine
CID 93053796
(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171211289
(4-fluorophenyl)-thiophen-3-ylmethanamine
CID 43463924
(S)-(3-phenylmethoxyphenyl)-thiophen-3-ylmethanamine
CID 171211288
(R)-(6-methoxynaphthalen-2-yl)-thiophen-3-ylmethanamine;hydrochloride
CID 171218929
4-[(S)-amino(thiophen-3-yl)methyl]benzoic acid
CID 171198152
(S)-(3,5-dimethoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171199673
(S)-9H-fluoren-2-yl(thiophen-3-yl)methanamine;hydrochloride
CID 171213670
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652
3-[(R)-amino(thiophen-3-yl)methyl]phenol;hydrochloride
CID 171218066
(R)-(3,4-dichlorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220907

Frequently Asked Questions

What is the IUPAC name of (R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride (CID 171228385) is (R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is Cl.N[C@H](c1ccc(Oc2ccccc2)cc1)c1ccsc1.
What is the InChIKey of (R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
The InChIKey is AZEDKQYQBQKAMO-UNTBIKODSA-N. The full InChI is InChI=1S/C17H15NOS.ClH/c18-17(14-10-11-20-12-14)13-6-8-16(9-7-13)19-15-4-2-1-3-5-15;/h1-12,17H,18H2;1H/t17-;/m1./s1.
What are the key properties of (R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride?
(R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride has a molecular weight of 317.84 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-phenoxyphenyl)-thiophen-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 171228385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).