2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine

C15H20N2OS — CID 66385982

IUPAC2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine
SMILESCc1cc(OC(C)C)ccc1NCc1sccc1N
InChIInChI=1S/C15H20N2OS/c1-10(2)18-12-4-5-14(11(3)8-12)17-9-15-13(16)6-7-19-15/h4-8,10,17H,9,16H2,1-3H3
InChIKeyLOWIGTFXLSSRTG-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.04
Rot. Bonds5

About 2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine

2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine (PubChem CID 66385982) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine
PubChem CID66385982
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine
SMILESCc1cc(OC(C)C)ccc1NCc1sccc1N
InChIInChI=1S/C15H20N2OS/c1-10(2)18-12-4-5-14(11(3)8-12)17-9-15-13(16)6-7-19-15/h4-8,10,17H,9,16H2,1-3H3
InChIKeyLOWIGTFXLSSRTG-UHFFFAOYSA-N
XLogP4.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide
CID 66385780
2-[[(2-methylthiophen-3-yl)amino]methyl]thiophen-3-amine
CID 134839997
2-[[2,4-di(propan-2-yl)anilino]methyl]thiophen-3-amine
CID 66385138
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 102834532
N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 66386931
2-[(2,5-dichloro-4-methylanilino)methyl]thiophen-3-amine
CID 113445815
N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 105401404
N-(3,3-dimethylbutyl)-2-methyl-4-propan-2-yloxyaniline
CID 63450883
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline
CID 104749166
2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474227
2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-amine
CID 66387695
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine (CID 66385982) is 2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine is Cc1cc(OC(C)C)ccc1NCc1sccc1N.
What is the InChIKey of 2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine?
The InChIKey is LOWIGTFXLSSRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(2)18-12-4-5-14(11(3)8-12)17-9-15-13(16)6-7-19-15/h4-8,10,17H,9,16H2,1-3H3.
What are the key properties of 2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine?
2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine has a molecular weight of 276.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine is sourced from PubChem (CID 66385982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).