[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine

C17H23NOS — CID 80733492

IUPAC[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine
SMILESCc1ccc(C(C)C)cc1OCc1cc(CN)sc1C
InChIInChI=1S/C17H23NOS/c1-11(2)14-6-5-12(3)17(8-14)19-10-15-7-16(9-18)20-13(15)4/h5-8,11H,9-10,18H2,1-4H3
InChIKeyBWNMVTMVYIPSFI-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.53
Rot. Bonds5

About [5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine

[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine (PubChem CID 80733492) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is [5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine
PubChem CID80733492
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine
SMILESCc1ccc(C(C)C)cc1OCc1cc(CN)sc1C
InChIInChI=1S/C17H23NOS/c1-11(2)14-6-5-12(3)17(8-14)19-10-15-7-16(9-18)20-13(15)4/h5-8,11H,9-10,18H2,1-4H3
InChIKeyBWNMVTMVYIPSFI-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine (CID 80733492) is [5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine is Cc1ccc(C(C)C)cc1OCc1cc(CN)sc1C.
What is the InChIKey of [5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine?
The InChIKey is BWNMVTMVYIPSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-11(2)14-6-5-12(3)17(8-14)19-10-15-7-16(9-18)20-13(15)4/h5-8,11H,9-10,18H2,1-4H3.
What are the key properties of [5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine?
[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine has a molecular weight of 289.44 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80733492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).