2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine

C16H22N2S — CID 66385749

IUPAC2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine
SMILESCC(C)CC(NCc1sccc1N)c1ccccc1
InChIInChI=1S/C16H22N2S/c1-12(2)10-15(13-6-4-3-5-7-13)18-11-16-14(17)8-9-19-16/h3-9,12,15,18H,10-11,17H2,1-2H3
InChIKeyWIFHARIESNLWHK-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.21
Rot. Bonds6

About 2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine

2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine (PubChem CID 66385749) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine
PubChem CID66385749
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine
SMILESCC(C)CC(NCc1sccc1N)c1ccccc1
InChIInChI=1S/C16H22N2S/c1-12(2)10-15(13-6-4-3-5-7-13)18-11-16-14(17)8-9-19-16/h3-9,12,15,18H,10-11,17H2,1-2H3
InChIKeyWIFHARIESNLWHK-UHFFFAOYSA-N
XLogP4.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylbutan-2-ylamino)methyl]thiophen-3-amine
CID 66386521
2-[(3-phenylbutylamino)methyl]thiophen-3-amine
CID 66385402
3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
CID 43080193
2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81351915
2-[(3-aminothiophen-2-yl)methylamino]-1-phenylethanol
CID 66386526
2-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81360179
3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine
CID 60714061
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
2-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]thiophen-3-amine
CID 81403332
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 43232185
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-1-phenylbutan-1-amine
CID 66398321
3-[(3-aminothiophen-2-yl)methylamino]-3-thiophen-2-ylpropanoic acid
CID 66385558

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine (CID 66385749) is 2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine is CC(C)CC(NCc1sccc1N)c1ccccc1.
What is the InChIKey of 2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine?
The InChIKey is WIFHARIESNLWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(2)10-15(13-6-4-3-5-7-13)18-11-16-14(17)8-9-19-16/h3-9,12,15,18H,10-11,17H2,1-2H3.
What are the key properties of 2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine?
2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine has a molecular weight of 274.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methyl-1-phenylbutyl)amino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).