N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine

C16H20BrNOS — CID 81127102

IUPACN-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cs1)c1cc(C)c(Br)cc1C
InChIInChI=1S/C16H20BrNOS/c1-5-18-16(15-8-12(19-4)9-20-15)13-6-11(3)14(17)7-10(13)2/h6-9,16,18H,5H2,1-4H3
InChIKeyDBFFLCNJDZMFFK-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.83
Rot. Bonds5

About N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine

N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 81127102) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID81127102
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC NameN-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cs1)c1cc(C)c(Br)cc1C
InChIInChI=1S/C16H20BrNOS/c1-5-18-16(15-8-12(19-4)9-20-15)13-6-11(3)14(17)7-10(13)2/h6-9,16,18H,5H2,1-4H3
InChIKeyDBFFLCNJDZMFFK-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123973
N-[(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 105013677
N-[(2,5-dimethylthiophen-3-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81128007
N-[(4-methoxythiophen-2-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81126979
N-[(3,5-dimethylthiophen-2-yl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 81156669
N-[(4-fluoro-2,6-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 106878110
N-[(4-methoxythiophen-2-yl)-thiophen-2-ylmethyl]ethanamine
CID 81128002
N-[(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103401157
N-[(2,4-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127179
[(4-methoxy-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 105333054
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974
N-[(4-bromo-2,5-difluorophenyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81122126

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine (CID 81127102) is N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine is CCNC(c1cc(OC)cs1)c1cc(C)c(Br)cc1C.
What is the InChIKey of N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is DBFFLCNJDZMFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-5-18-16(15-8-12(19-4)9-20-15)13-6-11(3)14(17)7-10(13)2/h6-9,16,18H,5H2,1-4H3.
What are the key properties of N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine?
N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 354.31 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 81127102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).