2-[(2-phenylethylamino)methyl]thiophen-3-amine

C13H16N2S — CID 66386306

IUPAC2-[(2-phenylethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCc1ccccc1
InChIInChI=1S/C13H16N2S/c14-12-7-9-16-13(12)10-15-8-6-11-4-2-1-3-5-11/h1-5,7,9,15H,6,8,10,14H2
InChIKeyYOWGLROVKVVYCQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.66
Rot. Bonds5

About 2-[(2-phenylethylamino)methyl]thiophen-3-amine

2-[(2-phenylethylamino)methyl]thiophen-3-amine (PubChem CID 66386306) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-[(2-phenylethylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2-phenylethylamino)methyl]thiophen-3-amine
PubChem CID66386306
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name2-[(2-phenylethylamino)methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCc1ccccc1
InChIInChI=1S/C13H16N2S/c14-12-7-9-16-13(12)10-15-8-6-11-4-2-1-3-5-11/h1-5,7,9,15H,6,8,10,14H2
InChIKeyYOWGLROVKVVYCQ-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine
CID 66387708
3-[(3-aminothiophen-2-yl)methylamino]propanenitrile
CID 66385922
4-[(3-aminothiophen-2-yl)methylamino]butanoic acid
CID 66387769
2-[(3-aminothiophen-2-yl)methylamino]-3-phenylpropan-1-ol
CID 66387003
2-[[2-(cyclopenten-1-yl)ethylamino]methyl]thiophen-3-amine
CID 106170276
2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol
CID 66386526
2-[[(4-fluorophenyl)methylamino]methyl]thiophen-3-amine
CID 66387899
N-[(3-ethylthiophen-2-yl)methyl]-4-phenylbutan-1-amine
CID 114333451
2-[(5,5,5-trifluoropentylamino)methyl]thiophen-3-amine
CID 115517498
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
2-[(3-aminothiophen-2-yl)methylamino]-N-ethylethanesulfonamide
CID 106334703
4-[2-(thiophen-2-ylmethylamino)ethyl]aniline
CID 61150605

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylethylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2-phenylethylamino)methyl]thiophen-3-amine (CID 66386306) is 2-[(2-phenylethylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2-phenylethylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2-phenylethylamino)methyl]thiophen-3-amine is Nc1ccsc1CNCCc1ccccc1.
What is the InChIKey of 2-[(2-phenylethylamino)methyl]thiophen-3-amine?
The InChIKey is YOWGLROVKVVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c14-12-7-9-16-13(12)10-15-8-6-11-4-2-1-3-5-11/h1-5,7,9,15H,6,8,10,14H2.
What are the key properties of 2-[(2-phenylethylamino)methyl]thiophen-3-amine?
2-[(2-phenylethylamino)methyl]thiophen-3-amine has a molecular weight of 232.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylethylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66386306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).