(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine

C15H18BrNOS — CID 102836706

IUPAC(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NCc2cc(Br)c(C)s2)cc1
InChIInChI=1S/C15H18BrNOS/c1-10(12-4-6-13(18-3)7-5-12)17-9-14-8-15(16)11(2)19-14/h4-8,10,17H,9H2,1-3H3/t10-/m0/s1
InChIKeyCFBGFVQTHNZVRS-JTQLQIEISA-N
MW340.29 g/mol
LogP4.68
Rot. Bonds5

About (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine

(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 102836706) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID102836706
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NCc2cc(Br)c(C)s2)cc1
InChIInChI=1S/C15H18BrNOS/c1-10(12-4-6-13(18-3)7-5-12)17-9-14-8-15(16)11(2)19-14/h4-8,10,17H,9H2,1-3H3/t10-/m0/s1
InChIKeyCFBGFVQTHNZVRS-JTQLQIEISA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836707
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 102833535
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102834807
4-[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 102832081
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102836556
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(3-bromophenyl)ethanamine
CID 102836741
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66242816
(1R)-N-[(3-bromo-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 105401602
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 102834326
(1R)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 102836873

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 102836706) is (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@H](C)NCc2cc(Br)c(C)s2)cc1.
What is the InChIKey of (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is CFBGFVQTHNZVRS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-10(12-4-6-13(18-3)7-5-12)17-9-14-8-15(16)11(2)19-14/h4-8,10,17H,9H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine?
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 102836706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).