2-[(4-tert-butylanilino)methyl]thiophen-3-amine

C15H20N2S — CID 66385089

IUPAC2-[(4-tert-butylanilino)methyl]thiophen-3-amine
SMILESCC(C)(C)c1ccc(NCc2sccc2N)cc1
InChIInChI=1S/C15H20N2S/c1-15(2,3)11-4-6-12(7-5-11)17-10-14-13(16)8-9-18-14/h4-9,17H,10,16H2,1-3H3
InChIKeyRVUXWRZNSAPGRA-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.24
Rot. Bonds3

About 2-[(4-tert-butylanilino)methyl]thiophen-3-amine

2-[(4-tert-butylanilino)methyl]thiophen-3-amine (PubChem CID 66385089) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[(4-tert-butylanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(4-tert-butylanilino)methyl]thiophen-3-amine
PubChem CID66385089
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[(4-tert-butylanilino)methyl]thiophen-3-amine
SMILESCC(C)(C)c1ccc(NCc2sccc2N)cc1
InChIInChI=1S/C15H20N2S/c1-15(2,3)11-4-6-12(7-5-11)17-10-14-13(16)8-9-18-14/h4-9,17H,10,16H2,1-3H3
InChIKeyRVUXWRZNSAPGRA-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloroanilino)methyl]thiophen-3-amine
CID 66386898
4-[(3-aminothiophen-2-yl)methylamino]benzoic acid
CID 66387122
2-[(4-butylanilino)methyl]thiophen-3-amine
CID 66387516
2-[(4-ethylsulfonylanilino)methyl]thiophen-3-amine
CID 66385944
2-[[4-methyl-3-(trifluoromethyl)anilino]methyl]thiophen-3-amine
CID 66387792
ethyl 4-[(3-aminothiophen-2-yl)methylamino]benzoate
CID 66387124
2-[(3-chloro-4-fluoroanilino)methyl]thiophen-3-amine
CID 66387522
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486426
2-[(3-propan-2-ylanilino)methyl]thiophen-3-amine
CID 66386115
2-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]thiophen-3-amine
CID 66387317
5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
CID 66386976

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(4-tert-butylanilino)methyl]thiophen-3-amine (CID 66385089) is 2-[(4-tert-butylanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(4-tert-butylanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(4-tert-butylanilino)methyl]thiophen-3-amine is CC(C)(C)c1ccc(NCc2sccc2N)cc1.
What is the InChIKey of 2-[(4-tert-butylanilino)methyl]thiophen-3-amine?
The InChIKey is RVUXWRZNSAPGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(2,3)11-4-6-12(7-5-11)17-10-14-13(16)8-9-18-14/h4-9,17H,10,16H2,1-3H3.
What are the key properties of 2-[(4-tert-butylanilino)methyl]thiophen-3-amine?
2-[(4-tert-butylanilino)methyl]thiophen-3-amine has a molecular weight of 260.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).