2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine

C17H23NOS — CID 107558356

IUPAC2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1ccc(OCc2ccc(CNC(C)(C)C)s2)cc1
InChIInChI=1S/C17H23NOS/c1-13-5-7-14(8-6-13)19-12-16-10-9-15(20-16)11-18-17(2,3)4/h5-10,18H,11-12H2,1-4H3
InChIKeyXTEAXLHQXHFWLX-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.52
Rot. Bonds5

About 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107558356) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107558356
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1ccc(OCc2ccc(CNC(C)(C)C)s2)cc1
InChIInChI=1S/C17H23NOS/c1-13-5-7-14(8-6-13)19-12-16-10-9-15(20-16)11-18-17(2,3)4/h5-10,18H,11-12H2,1-4H3
InChIKeyXTEAXLHQXHFWLX-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107559260
N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557974
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[5-[(4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558537
N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558912
2-methyl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43434173
2-methyl-N-[[5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558229
5-[(4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607851
N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558452
2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
CID 80611604
2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555875
1-[5-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107726394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107558356) is 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine is Cc1ccc(OCc2ccc(CNC(C)(C)C)s2)cc1.
What is the InChIKey of 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is XTEAXLHQXHFWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-13-5-7-14(8-6-13)19-12-16-10-9-15(20-16)11-18-17(2,3)4/h5-10,18H,11-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 289.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107558356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).