5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol

C19H19NOS — CID 134843751

IUPAC5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol
SMILESCN(C)c1ccc([C@H](c2ccccc2)c2cccs2)c(O)c1
InChIInChI=1S/C19H19NOS/c1-20(2)15-10-11-16(17(21)13-15)19(18-9-6-12-22-18)14-7-4-3-5-8-14/h3-13,19,21H,1-2H3/t19-/m0/s1
InChIKeySPLBABFAHLDQBB-IBGZPJMESA-N
MW309.43 g/mol
LogP4.70
Rot. Bonds4

About 5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol

5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol (PubChem CID 134843751) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol
PubChem CID134843751
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol
SMILESCN(C)c1ccc([C@H](c2ccccc2)c2cccs2)c(O)c1
InChIInChI=1S/C19H19NOS/c1-20(2)15-10-11-16(17(21)13-15)19(18-9-6-12-22-18)14-7-4-3-5-8-14/h3-13,19,21H,1-2H3/t19-/m0/s1
InChIKeySPLBABFAHLDQBB-IBGZPJMESA-N
XLogP4.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol?
The IUPAC name of 5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol (CID 134843751) is 5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol.
What is the SMILES notation for 5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol?
The canonical SMILES for 5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol is CN(C)c1ccc([C@H](c2ccccc2)c2cccs2)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol?
The InChIKey is SPLBABFAHLDQBB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NOS/c1-20(2)15-10-11-16(17(21)13-15)19(18-9-6-12-22-18)14-7-4-3-5-8-14/h3-13,19,21H,1-2H3/t19-/m0/s1.
What are the key properties of 5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol?
5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol has a molecular weight of 309.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(S)-phenyl(thiophen-2-yl)methyl]phenol is sourced from PubChem (CID 134843751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).