1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine

C15H19NO2S — CID 80728605

IUPAC1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C15H19NO2S/c1-11-12(8-15(19-11)9-16-2)10-18-14-6-4-13(17-3)5-7-14/h4-8,16H,9-10H2,1-3H3
InChIKeyHIKSFOUSDNXMNQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.36
Rot. Bonds6

About 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine

1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine (PubChem CID 80728605) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
PubChem CID80728605
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C15H19NO2S/c1-11-12(8-15(19-11)9-16-2)10-18-14-6-4-13(17-3)5-7-14/h4-8,16H,9-10H2,1-3H3
InChIKeyHIKSFOUSDNXMNQ-UHFFFAOYSA-N
XLogP3.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine 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-[4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728966
N-[[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80722854
1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80729265
N-[[5-methyl-4-[(4-methylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 80728494
1-[4-[(2,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80729282
N-methyl-1-[5-methyl-4-[(2-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methanamine
CID 80734222
1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107558294
N-[[5-methyl-4-[(6-methyl-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80729782
N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80729822
[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733329
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
N-[[4-[(3-fluoro-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 107170865

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine (CID 80728605) is 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine is CNCc1cc(COc2ccc(OC)cc2)c(C)s1.
What is the InChIKey of 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
The InChIKey is HIKSFOUSDNXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11-12(8-15(19-11)9-16-2)10-18-14-6-4-13(17-3)5-7-14/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine?
1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine has a molecular weight of 277.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 80728605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).