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

C15H20N2S — CID 66385402

IUPAC2-[(3-phenylbutylamino)methyl]thiophen-3-amine
SMILESCC(CCNCc1sccc1N)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-12(13-5-3-2-4-6-13)7-9-17-11-15-14(16)8-10-18-15/h2-6,8,10,12,17H,7,9,11,16H2,1H3
InChIKeyOLBHRHXHJZQWGI-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.61
Rot. Bonds6

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

2-[(3-phenylbutylamino)methyl]thiophen-3-amine (PubChem CID 66385402) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[(3-phenylbutylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(3-phenylbutylamino)methyl]thiophen-3-amine
PubChem CID66385402
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[(3-phenylbutylamino)methyl]thiophen-3-amine
SMILESCC(CCNCc1sccc1N)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-12(13-5-3-2-4-6-13)7-9-17-11-15-14(16)8-10-18-15/h2-6,8,10,12,17H,7,9,11,16H2,1H3
InChIKeyOLBHRHXHJZQWGI-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.61
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-phenylethylamino)methyl]thiophen-3-amine
CID 66386306
2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol
CID 66386526
2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine
CID 66385749
1-N-[(3-aminothiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 66384977
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
3-phenyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 63462579
4-[(3-aminothiophen-2-yl)methylamino]butanoic acid
CID 66387769
3-phenyl-N-(pyrimidin-5-ylmethyl)butan-1-amine
CID 55152744
2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
CID 66386521
N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
CID 113474995
N-(3-phenylbutyl)-1,3-thiazol-2-amine
CID 62402809
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylbutylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(3-phenylbutylamino)methyl]thiophen-3-amine (CID 66385402) is 2-[(3-phenylbutylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(3-phenylbutylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(3-phenylbutylamino)methyl]thiophen-3-amine is CC(CCNCc1sccc1N)c1ccccc1.
What is the InChIKey of 2-[(3-phenylbutylamino)methyl]thiophen-3-amine?
The InChIKey is OLBHRHXHJZQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(13-5-3-2-4-6-13)7-9-17-11-15-14(16)8-10-18-15/h2-6,8,10,12,17H,7,9,11,16H2,1H3.
What are the key properties of 2-[(3-phenylbutylamino)methyl]thiophen-3-amine?
2-[(3-phenylbutylamino)methyl]thiophen-3-amine has a molecular weight of 260.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylbutylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).