2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol

C14H17NOS — CID 4722461

IUPAC2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol
SMILESCc1ccsc1CNCC(O)c1ccccc1
InChIInChI=1S/C14H17NOS/c1-11-7-8-17-14(11)10-15-9-13(16)12-5-3-2-4-6-12/h2-8,13,15-16H,9-10H2,1H3
InChIKeyUXVRFEANCJLERB-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.88
Rot. Bonds5

About 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol

2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol (PubChem CID 4722461) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol
PubChem CID4722461
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol
SMILESCc1ccsc1CNCC(O)c1ccccc1
InChIInChI=1S/C14H17NOS/c1-11-7-8-17-14(11)10-15-9-13(16)12-5-3-2-4-6-12/h2-8,13,15-16H,9-10H2,1H3
InChIKeyUXVRFEANCJLERB-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol (CID 4722461) is 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol is Cc1ccsc1CNCC(O)c1ccccc1.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol?
The InChIKey is UXVRFEANCJLERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-7-8-17-14(11)10-15-9-13(16)12-5-3-2-4-6-12/h2-8,13,15-16H,9-10H2,1H3.
What are the key properties of 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol?
2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol has a molecular weight of 247.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methylamino]-1-phenylethanol is sourced from PubChem (CID 4722461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).