1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine

C15H18ClNOS — CID 107558758

IUPAC1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(C)c(Cl)c(C)c2)s1
InChIInChI=1S/C15H18ClNOS/c1-10-6-12(7-11(2)15(10)16)18-9-14-5-4-13(19-14)8-17-3/h4-7,17H,8-9H2,1-3H3
InChIKeyAJYIJWBZEBOEOH-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.32
Rot. Bonds5

About 1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine

1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine (PubChem CID 107558758) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
PubChem CID107558758
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cc(C)c(Cl)c(C)c2)s1
InChIInChI=1S/C15H18ClNOS/c1-10-6-12(7-11(2)15(10)16)18-9-14-5-4-13(19-14)8-17-3/h4-7,17H,8-9H2,1-3H3
InChIKeyAJYIJWBZEBOEOH-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107726394
1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107558294
1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63497021
1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076921
1-[5-[(4-chloro-3-fluorophenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559178
1-[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
CID 107558966
N-methyl-1-[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558169
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559151
N-[[5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62484481
N-[[5-[(4-bromo-3-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107559225
N-[[3-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 63498079
2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]phenyl]acetonitrile
CID 19050147

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine (CID 107558758) is 1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine is CNCc1ccc(COc2cc(C)c(Cl)c(C)c2)s1.
What is the InChIKey of 1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine?
The InChIKey is AJYIJWBZEBOEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-10-6-12(7-11(2)15(10)16)18-9-14-5-4-13(19-14)8-17-3/h4-7,17H,8-9H2,1-3H3.
What are the key properties of 1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine?
1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine has a molecular weight of 295.84 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107558758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).