N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine

C17H23NO2S — CID 105035974

IUPACN-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1cc(OC)cs1
InChIInChI=1S/C17H23NO2S/c1-4-10-20-15-9-7-6-8-14(15)17(18-5-2)16-11-13(19-3)12-21-16/h6-9,11-12,17-18H,4-5,10H2,1-3H3
InChIKeyBBOVUSXPTJEKPZ-UHFFFAOYSA-N
MW305.44 g/mol
LogP4.24
Rot. Bonds8

About N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine

N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine (PubChem CID 105035974) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
PubChem CID105035974
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)c1cc(OC)cs1
InChIInChI=1S/C17H23NO2S/c1-4-10-20-15-9-7-6-8-14(15)17(18-5-2)16-11-13(19-3)12-21-16/h6-9,11-12,17-18H,4-5,10H2,1-3H3
InChIKeyBBOVUSXPTJEKPZ-UHFFFAOYSA-N
XLogP4.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)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

N-[(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035800
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81128007
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035892
N-[(3-methylphenyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104659903
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81127102
N-[(2-propoxyphenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105180804
N-[[2-(2-methoxyethoxy)phenyl]-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105035372
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
N-[(4-bromothiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807404

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine (CID 105035974) is N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine is CCCOc1ccccc1C(NCC)c1cc(OC)cs1.
What is the InChIKey of N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
The InChIKey is BBOVUSXPTJEKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-10-20-15-9-7-6-8-14(15)17(18-5-2)16-11-13(19-3)12-21-16/h6-9,11-12,17-18H,4-5,10H2,1-3H3.
What are the key properties of N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine?
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine has a molecular weight of 305.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105035974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).