N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline

C14H15Br2NOS — CID 102903881

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCc1cc(Br)c(Br)s1
InChIInChI=1S/C14H15Br2NOS/c1-18-7-6-10-4-2-3-5-13(10)17-9-11-8-12(15)14(16)19-11/h2-5,8,17H,6-7,9H2,1H3
InChIKeyPIDMRBXOKHQUFE-UHFFFAOYSA-N
MW405.16 g/mol
LogP5.07
Rot. Bonds6

About N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline

N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline (PubChem CID 102903881) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline
PubChem CID102903881
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCc1cc(Br)c(Br)s1
InChIInChI=1S/C14H15Br2NOS/c1-18-7-6-10-4-2-3-5-13(10)17-9-11-8-12(15)14(16)19-11/h2-5,8,17H,6-7,9H2,1H3
InChIKeyPIDMRBXOKHQUFE-UHFFFAOYSA-N
XLogP5.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.16
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dibromothiophen-2-yl)methyl]-2-ethylaniline
CID 102830609
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 102847681
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-propylaniline
CID 102832325
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxyethanamine
CID 80536287
N-[(4,5-dibromothiophen-2-yl)methyl]-3-iodo-2-methylaniline
CID 114256939
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxyethyl)aniline
CID 102847648
[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
1-(2-bromophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102834984
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline (CID 102903881) is N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline is COCCc1ccccc1NCc1cc(Br)c(Br)s1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline?
The InChIKey is PIDMRBXOKHQUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c1-18-7-6-10-4-2-3-5-13(10)17-9-11-8-12(15)14(16)19-11/h2-5,8,17H,6-7,9H2,1H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline?
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline has a molecular weight of 405.16 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102903881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).