N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine

C16H21NO2S — CID 80729822

IUPACN-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2ccccc2OC)c(C)s1
InChIInChI=1S/C16H21NO2S/c1-4-17-10-14-9-13(12(2)20-14)11-19-16-8-6-5-7-15(16)18-3/h5-9,17H,4,10-11H2,1-3H3
InChIKeyPDWVQDFFPYNKCZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.75
Rot. Bonds7

About N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine

N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine (PubChem CID 80729822) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
PubChem CID80729822
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COc2ccccc2OC)c(C)s1
InChIInChI=1S/C16H21NO2S/c1-4-17-10-14-9-13(12(2)20-14)11-19-16-8-6-5-7-15(16)18-3/h5-9,17H,4,10-11H2,1-3H3
InChIKeyPDWVQDFFPYNKCZ-UHFFFAOYSA-N
XLogP3.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]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-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-3-ylphenyl)methyl]ethanamine
CID 16109482
2-(2-propan-2-yloxyphenoxy)-N-[(3-thiophen-2-ylphenyl)methyl]ethanamine
CID 16109492
2-(3,4-dimethoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine;hydrochloride
CID 2976026
[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
[2-(3,4-Dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amine hydrochloride
CID 6458577
2-methyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride
CID 6460614
N-[2-[4-methoxy-3-(2-thiophen-2-ylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
CID 18986848
N-[2-(2-thienylmethoxy)benzyl]cyclohexanamine hydrochloride
CID 2942144
N-tert-Butyl-2-(2-methoxy-4-{[(thiophen-2-ylmethyl)-amino]-methyl}-phenoxy)-acetamide
CID 2959173
[4-(Benzyloxy)benzyl](2-thienylmethyl)amine hydrochloride
CID 2960752
(4-Benzyloxy-3-methoxy-benzyl)-thiophen-2-ylmethyl-amine
CID 2964134
tert-Butyl-[2-(thiophen-2-ylmethoxy)-benzyl]-amine
CID 11957322

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine (CID 80729822) is N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine is CCNCc1cc(COc2ccccc2OC)c(C)s1.
What is the InChIKey of N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
The InChIKey is PDWVQDFFPYNKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-4-17-10-14-9-13(12(2)20-14)11-19-16-8-6-5-7-15(16)18-3/h5-9,17H,4,10-11H2,1-3H3.
What are the key properties of N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine?
N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80729822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).