N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline

C15H18BrNOS — CID 102834467

IUPACN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1cc(Br)c(C)s1
InChIInChI=1S/C15H18BrNOS/c1-4-18-15-7-10(2)5-6-14(15)17-9-12-8-13(16)11(3)19-12/h5-8,17H,4,9H2,1-3H3
InChIKeyQCIQACYSJNFZLN-UHFFFAOYSA-N
MW340.29 g/mol
LogP5.14
Rot. Bonds5

About N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline (PubChem CID 102834467) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
PubChem CID102834467
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1cc(Br)c(C)s1
InChIInChI=1S/C15H18BrNOS/c1-4-18-15-7-10(2)5-6-14(15)17-9-12-8-13(16)11(3)19-12/h5-8,17H,4,9H2,1-3H3
InChIKeyQCIQACYSJNFZLN-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.29
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 102834473
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,5-diethoxyaniline
CID 102830232
methyl 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-5-methylbenzoate
CID 102831978
N-[(3-bromothiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
CID 115380178
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
CID 105401396
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-4-methylaniline
CID 63120648
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-ethoxyaniline
CID 102830088
ethyl 3-bromo-4-[(4-bromo-5-methylthiophen-2-yl)methylamino]benzoate
CID 102832187
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2,4-dibromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-5-methoxyaniline
CID 103411374
2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline
CID 54864631
N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
CID 106528416

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline (CID 102834467) is N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline is CCOc1cc(C)ccc1NCc1cc(Br)c(C)s1.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline?
The InChIKey is QCIQACYSJNFZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-4-18-15-7-10(2)5-6-14(15)17-9-12-8-13(16)11(3)19-12/h5-8,17H,4,9H2,1-3H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline?
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline has a molecular weight of 340.29 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline is sourced from PubChem (CID 102834467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).