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-Methoxy-phenyl)-thiophen-3-ylmethyl-amine
CID 3148504
1-(6-Ethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-ethyl-1-thiophen-2-ylmethyl-thiourea
CID 1141652
4-methoxy-N-(thiophen-2-ylmethyl)aniline
CID 843063
6-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]-1H-quinolin-2-one
CID 10019540
US11401270, Example 1
CID 142566879
4-methoxy-N-(1-thiophen-3-ylethyl)aniline
CID 44435952
4-methoxy-N-[(1S)-1-thiophen-2-ylethyl]aniline
CID 28489866
3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)aniline
CID 43380610
N-[[1-[(2R)-4-aminobutan-2-yl]piperidin-4-yl]-thiophen-3-ylmethyl]-4-(trifluoromethoxy)aniline
CID 68970668
4-ethoxy-3-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 112685478
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 1459179
4-{[4-(2-Thienylmethoxy)benzyl]amino}phenol
CID 833987

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).