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

C13H16N2OS — CID 66386526

IUPAC2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol
SMILESNc1ccsc1CNCC(O)c1ccccc1
InChIInChI=1S/C13H16N2OS/c14-11-6-7-17-13(11)9-15-8-12(16)10-4-2-1-3-5-10/h1-7,12,15-16H,8-9,14H2
InChIKeyMVIUZCOBJPCJBP-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.15
Rot. Bonds5

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

2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol (PubChem CID 66386526) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol
PubChem CID66386526
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol
SMILESNc1ccsc1CNCC(O)c1ccccc1
InChIInChI=1S/C13H16N2OS/c14-11-6-7-17-13(11)9-15-8-12(16)10-4-2-1-3-5-10/h1-7,12,15-16H,8-9,14H2
InChIKeyMVIUZCOBJPCJBP-UHFFFAOYSA-N
XLogP2.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-phenylbutylamino)methyl]thiophen-3-amine
CID 66385402
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-[(2-phenylethylamino)methyl]thiophen-3-amine
CID 66386306
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66384977
4-[(3-aminothiophen-2-yl)methylamino]butanoic acid
CID 66387769
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
CID 70462318
2-(3-methylbut-3-enylamino)-1-phenylethanol
CID 114472041
2-[(4-iodophenyl)methylamino]-1-phenylethanol
CID 65479403
2-[(3-aminothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 66387003
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol (CID 66386526) is 2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol is Nc1ccsc1CNCC(O)c1ccccc1.
What is the InChIKey of 2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol?
The InChIKey is MVIUZCOBJPCJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c14-11-6-7-17-13(11)9-15-8-12(16)10-4-2-1-3-5-10/h1-7,12,15-16H,8-9,14H2.
What are the key properties of 2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol?
2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol has a molecular weight of 248.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol is sourced from PubChem (CID 66386526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).