1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine

C14H16ClNO2S — CID 105007159

IUPAC1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1cc(OC)cs1
InChIInChI=1S/C14H16ClNO2S/c1-16-14(13-7-10(17-2)8-19-13)9-4-5-11(15)12(6-9)18-3/h4-8,14,16H,1-3H3
InChIKeyUGUQGLHHNGJIEP-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.73
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine

1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine (PubChem CID 105007159) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
PubChem CID105007159
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)c1cc(OC)cs1
InChIInChI=1S/C14H16ClNO2S/c1-16-14(13-7-10(17-2)8-19-13)9-4-5-11(15)12(6-9)18-3/h4-8,14,16H,1-3H3
InChIKeyUGUQGLHHNGJIEP-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxythiophen-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81126484
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 79700135
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
N-[(3-chloro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81121964
1-(2-chloro-4,5-difluorophenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 107476237
[(3-chloro-4-methylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 107562678
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105164456
1-(4-methoxy-3,5-dimethylphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 83056844
1-(4-methoxythiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021123
N-[(4-bromothiophen-2-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 79697203
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 105006756

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine (CID 105007159) is 1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine is CNC(c1ccc(Cl)c(OC)c1)c1cc(OC)cs1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
The InChIKey is UGUQGLHHNGJIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-16-14(13-7-10(17-2)8-19-13)9-4-5-11(15)12(6-9)18-3/h4-8,14,16H,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine?
1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine has a molecular weight of 297.81 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105007159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).