3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline

C16H22N2S — CID 106012145

IUPAC3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline
SMILESCCc1ccc(CNCCCc2cccc(N)c2)s1
InChIInChI=1S/C16H22N2S/c1-2-15-8-9-16(19-15)12-18-10-4-6-13-5-3-7-14(17)11-13/h3,5,7-9,11,18H,2,4,6,10,12,17H2,1H3
InChIKeyPVMYOOUHNHQCRU-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.62
Rot. Bonds7

About 3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline

3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline (PubChem CID 106012145) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline
PubChem CID106012145
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline
SMILESCCc1ccc(CNCCCc2cccc(N)c2)s1
InChIInChI=1S/C16H22N2S/c1-2-15-8-9-16(19-15)12-18-10-4-6-13-5-3-7-14(17)11-13/h3,5,7-9,11,18H,2,4,6,10,12,17H2,1H3
InChIKeyPVMYOOUHNHQCRU-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(4,5-dimethylthiophen-2-yl)methylamino]propyl]aniline
CID 115342183
N'-[(5-ethylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62142433
3-[3-(2,2-dimethylbutylamino)propyl]aniline
CID 103462249
3-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
CID 65350320
3-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propyl]aniline
CID 113290648
3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052
N-[(5-ethylthiophen-2-yl)methyl]heptan-1-amine
CID 106009218
3-[[(5-ethylthiophen-2-yl)methyl-methylamino]methyl]aniline
CID 43383747
4-[3-[(5-methylthiophen-2-yl)methylamino]propyl]aniline
CID 113290666
3-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propyl]aniline
CID 115342217
3-(3-chloropropyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 113397854
3-pentylaniline
CID 19911390

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline?
The IUPAC name of 3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline (CID 106012145) is 3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline.
What is the SMILES notation for 3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline?
The canonical SMILES for 3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline is CCc1ccc(CNCCCc2cccc(N)c2)s1.
What is the InChIKey of 3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline?
The InChIKey is PVMYOOUHNHQCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-15-8-9-16(19-15)12-18-10-4-6-13-5-3-7-14(17)11-13/h3,5,7-9,11,18H,2,4,6,10,12,17H2,1H3.
What are the key properties of 3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline?
3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline has a molecular weight of 274.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-ethylthiophen-2-yl)methylamino]propyl]aniline is sourced from PubChem (CID 106012145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).