1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine

C14H15BrClNOS — CID 102828202

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(OC)c1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H15BrClNOS/c1-8-4-5-9(6-11(8)18-3)13(17-2)12-7-10(15)14(16)19-12/h4-7,13,17H,1-3H3
InChIKeyZFVYMPJPKLSHQA-UHFFFAOYSA-N
MW360.70 g/mol
LogP4.79
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine

1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine (PubChem CID 102828202) has the molecular formula C14H15BrClNOS and a molecular weight of 360.70 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
PubChem CID102828202
Molecular FormulaC14H15BrClNOS
Molecular Weight360.70 g/mol
Exact Mass358.97
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(OC)c1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H15BrClNOS/c1-8-4-5-9(6-11(8)18-3)13(17-2)12-7-10(15)14(16)19-12/h4-7,13,17H,1-3H3
InChIKeyZFVYMPJPKLSHQA-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.70
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 102828331
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102828304
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 102827397
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43481405
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine
CID 103220625
1-(3-bromo-4-methoxyphenyl)-1-(5-chlorothiophen-2-yl)-N-methylmethanamine
CID 61034062
N-[(5-chloro-4-methylthiophen-2-yl)-(3-methoxy-4-methylphenyl)methyl]propan-1-amine
CID 102764059
N-[(4-bromo-5-chlorothiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 102828442
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 102828344
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 79700135
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine (CID 102828202) is 1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(OC)c1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
The InChIKey is ZFVYMPJPKLSHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNOS/c1-8-4-5-9(6-11(8)18-3)13(17-2)12-7-10(15)14(16)19-12/h4-7,13,17H,1-3H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine has a molecular weight of 360.70 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 102828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).