1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol

C14H17NOS — CID 111118599

IUPAC1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol
SMILESCc1ccccc1C(O)CNCc1ccsc1
InChIInChI=1S/C14H17NOS/c1-11-4-2-3-5-13(11)14(16)9-15-8-12-6-7-17-10-12/h2-7,10,14-16H,8-9H2,1H3
InChIKeyPRFHQTWCKQRESH-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.88
Rot. Bonds5

About 1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol

1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol (PubChem CID 111118599) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol
PubChem CID111118599
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol
SMILESCc1ccccc1C(O)CNCc1ccsc1
InChIInChI=1S/C14H17NOS/c1-11-4-2-3-5-13(11)14(16)9-15-8-12-6-7-17-10-12/h2-7,10,14-16H,8-9H2,1H3
InChIKeyPRFHQTWCKQRESH-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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Related Compounds

(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol
CID 134955174
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118617
2-[(2-methoxyphenyl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118595
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-1-(2-methylphenyl)ethanol
CID 111118631
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248312
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118623
methyl 4-[[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]methyl]-1H-pyrrole-2-carboxylate
CID 111974653
2-[(3,3-dimethylcyclobutyl)methylamino]-1-(2-methylphenyl)ethanol
CID 123256673
1-ethoxy-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63931946

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol?
The IUPAC name of 1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol (CID 111118599) is 1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol.
What is the SMILES notation for 1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol?
The canonical SMILES for 1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol is Cc1ccccc1C(O)CNCc1ccsc1.
What is the InChIKey of 1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol?
The InChIKey is PRFHQTWCKQRESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-4-2-3-5-13(11)14(16)9-15-8-12-6-7-17-10-12/h2-7,10,14-16H,8-9H2,1H3.
What are the key properties of 1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol?
1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol 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 1-(2-methylphenyl)-2-(thiophen-3-ylmethylamino)ethanol is sourced from PubChem (CID 111118599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).