N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine

C14H16BrNOS — CID 79601552

IUPACN-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2cscc2Br)ccc1OC
InChIInChI=1S/C14H16BrNOS/c1-3-16-7-11-6-10(4-5-14(11)17-2)12-8-18-9-13(12)15/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyYCVIXUZHATWWSU-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.30
Rot. Bonds5

About N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine

N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine (PubChem CID 79601552) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine
PubChem CID79601552
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC NameN-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2cscc2Br)ccc1OC
InChIInChI=1S/C14H16BrNOS/c1-3-16-7-11-6-10(4-5-14(11)17-2)12-8-18-9-13(12)15/h4-6,8-9,16H,3,7H2,1-2H3
InChIKeyYCVIXUZHATWWSU-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 79602381
N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
CID 54912220
N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine
CID 79601644
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 66278387
N-[[2-(4-bromothiophen-3-yl)-4,5-dimethoxyphenyl]methyl]propan-1-amine
CID 79590634
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441
N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
N-[[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106951183
N-[[2-methoxy-5-(5-methylthiophen-3-yl)phenyl]methyl]propan-1-amine
CID 65099654

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine (CID 79601552) is N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine is CCNCc1cc(-c2cscc2Br)ccc1OC.
What is the InChIKey of N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine?
The InChIKey is YCVIXUZHATWWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-3-16-7-11-6-10(4-5-14(11)17-2)12-8-18-9-13(12)15/h4-6,8-9,16H,3,7H2,1-2H3.
What are the key properties of N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine?
N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine has a molecular weight of 326.26 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 79601552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).