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

C15H18BrNOS — CID 63798446

IUPACN-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1sccc1Br
InChIInChI=1S/C15H18BrNOS/c1-3-17-14(15-13(16)9-10-19-15)11-5-7-12(8-6-11)18-4-2/h5-10,14,17H,3-4H2,1-2H3
InChIKeyNVSALWXKCNXRHC-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.61
Rot. Bonds6

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

N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine (PubChem CID 63798446) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
PubChem CID63798446
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1sccc1Br
InChIInChI=1S/C15H18BrNOS/c1-3-17-14(15-13(16)9-10-19-15)11-5-7-12(8-6-11)18-4-2/h5-10,14,17H,3-4H2,1-2H3
InChIKeyNVSALWXKCNXRHC-UHFFFAOYSA-N
XLogP4.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)-(4-iodophenyl)methyl]ethanamine
CID 80535832
N-[(3-bromo-4-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 81472376
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
N-[(4-ethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105140832
N-[(3-chlorothiophen-2-yl)-(4-propoxyphenyl)methyl]ethanamine
CID 115853483
N-[(4-ethoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489387
N-[(3-bromothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 79746478
N-[(4-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 43489161
N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035892
N-[(4-ethoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489388
N-[(3-bromothiophen-2-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 80535905
N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 80535141

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine (CID 63798446) is N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1)c1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine?
The InChIKey is NVSALWXKCNXRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-17-14(15-13(16)9-10-19-15)11-5-7-12(8-6-11)18-4-2/h5-10,14,17H,3-4H2,1-2H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine?
N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(4-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63798446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).