1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine

C14H23NOS — CID 62386041

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCc1cc(C(C)NCC2CCOCC2)c(C)s1
InChIInChI=1S/C14H23NOS/c1-10-8-14(12(3)17-10)11(2)15-9-13-4-6-16-7-5-13/h8,11,13,15H,4-7,9H2,1-3H3
InChIKeyKBTPLIBJKBWRQU-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.44
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 62386041) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID62386041
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCc1cc(C(C)NCC2CCOCC2)c(C)s1
InChIInChI=1S/C14H23NOS/c1-10-8-14(12(3)17-10)11(2)15-9-13-4-6-16-7-5-13/h8,11,13,15H,4-7,9H2,1-3H3
InChIKeyKBTPLIBJKBWRQU-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102302
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785809
1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80583978
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 97232289
N-[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]oxan-4-amine
CID 84587806
1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855461
2-(cyclopropylmethylamino)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]acetamide
CID 60866013
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43205741
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
CID 43200659

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine (CID 62386041) is 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine is Cc1cc(C(C)NCC2CCOCC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is KBTPLIBJKBWRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10-8-14(12(3)17-10)11(2)15-9-13-4-6-16-7-5-13/h8,11,13,15H,4-7,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 62386041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).