N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine

C14H23NO2S — CID 55088440

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine
SMILESCc1ccc(CNCCOCC2CCCCO2)s1
InChIInChI=1S/C14H23NO2S/c1-12-5-6-14(18-12)10-15-7-9-16-11-13-4-2-3-8-17-13/h5-6,13,15H,2-4,7-11H2,1H3
InChIKeyIZFYVXYVSURRAO-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.73
Rot. Bonds7

About N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine

N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine (PubChem CID 55088440) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine
PubChem CID55088440
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine
SMILESCc1ccc(CNCCOCC2CCCCO2)s1
InChIInChI=1S/C14H23NO2S/c1-12-5-6-14(18-12)10-15-7-9-16-11-13-4-2-3-8-17-13/h5-6,13,15H,2-4,7-11H2,1H3
InChIKeyIZFYVXYVSURRAO-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)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

2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62572494
N-[(5-methylthiophen-2-yl)methyl]-2-pentoxyethanamine
CID 62583214
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787
N-[[5-(oxan-2-ylmethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558038
N-(cyclopentylmethyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62567695
N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362826
N-(2-methoxyethyl)-4-(oxan-2-ylmethoxy)butan-1-amine
CID 62565418
N-[(5-methylthiophen-2-yl)methyl]-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82956655
N-[(5-methylthiophen-2-yl)methyl]-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62570788
2-(3-methylbut-3-enoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114470947
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine (CID 55088440) is N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine is Cc1ccc(CNCCOCC2CCCCO2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine?
The InChIKey is IZFYVXYVSURRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-12-5-6-14(18-12)10-15-7-9-16-11-13-4-2-3-8-17-13/h5-6,13,15H,2-4,7-11H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine?
N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-(oxan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 55088440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).