[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine

C13H14ClNOS — CID 80729482

IUPAC[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1COc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNOS/c1-9-10(5-13(7-15)17-9)8-16-12-4-2-3-11(14)6-12/h2-6H,7-8,15H2,1H3
InChIKeyXJMHZYQGXHDSFB-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.75
Rot. Bonds4

About [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine

[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine (PubChem CID 80729482) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
PubChem CID80729482
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1COc1cccc(Cl)c1
InChIInChI=1S/C13H14ClNOS/c1-9-10(5-13(7-15)17-9)8-16-12-4-2-3-11(14)6-12/h2-6H,7-8,15H2,1H3
InChIKeyXJMHZYQGXHDSFB-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine 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

[4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729897
[4-[(3,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80734356
N-[[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80729821
[4-[(4-chloro-3-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 82727142
[4-[(2,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728704
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-5-methylthiophen-2-yl]methanamine
CID 80723273
[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728963
[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733329
[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729570
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233
[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
CID 62459366
[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180951

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The IUPAC name of [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine (CID 80729482) is [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The canonical SMILES for [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine is Cc1sc(CN)cc1COc1cccc(Cl)c1.
What is the InChIKey of [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The InChIKey is XJMHZYQGXHDSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9-10(5-13(7-15)17-9)8-16-12-4-2-3-11(14)6-12/h2-6H,7-8,15H2,1H3.
What are the key properties of [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine has a molecular weight of 267.78 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 80729482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).