N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine

C15H18BrNOS — CID 105010666

IUPACN-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(OC)c1)c1cscc1Br
InChIInChI=1S/C15H18BrNOS/c1-4-17-15(12-8-19-9-13(12)16)11-6-5-10(2)14(7-11)18-3/h5-9,15,17H,4H2,1-3H3
InChIKeySJKAYCRGKJSBCY-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.53
Rot. Bonds5

About N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine

N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine (PubChem CID 105010666) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
PubChem CID105010666
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(OC)c1)c1cscc1Br
InChIInChI=1S/C15H18BrNOS/c1-4-17-15(12-8-19-9-13(12)16)11-6-5-10(2)14(7-11)18-3/h5-9,15,17H,4H2,1-3H3
InChIKeySJKAYCRGKJSBCY-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 105010525
N-[(3-bromo-4-fluorophenyl)-(4-bromothiophen-3-yl)methyl]ethanamine
CID 82810486
N-[(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 43489971
N-[(4-bromothiophen-3-yl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 81491587
N-[(3-methoxy-4-methylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991351
N-[(3-chloro-4-methoxyphenyl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79802713
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
N-[(4-bromothiophen-3-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 105010722
N-[(4-bromothiophen-3-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105010681
[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105322605
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine (CID 105010666) is N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(OC)c1)c1cscc1Br.
What is the InChIKey of N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine?
The InChIKey is SJKAYCRGKJSBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-4-17-15(12-8-19-9-13(12)16)11-6-5-10(2)14(7-11)18-3/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine?
N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)-(3-methoxy-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 105010666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).