N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine

C14H15Br2NS — CID 114140050

IUPACN-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine
SMILESCc1ccc(CNCCc2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C14H15Br2NS/c1-10-2-3-11(13(15)8-10)9-17-7-6-12-4-5-14(16)18-12/h2-5,8,17H,6-7,9H2,1H3
InChIKeyZUGUENHQTSWAHW-UHFFFAOYSA-N
MW389.16 g/mol
LogP4.91
Rot. Bonds5

About N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine

N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine (PubChem CID 114140050) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine
PubChem CID114140050
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC NameN-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine
SMILESCc1ccc(CNCCc2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C14H15Br2NS/c1-10-2-3-11(13(15)8-10)9-17-7-6-12-4-5-14(16)18-12/h2-5,8,17H,6-7,9H2,1H3
InChIKeyZUGUENHQTSWAHW-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.16
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethylphenyl)methanamine
CID 60744211
2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine
CID 106043701
2-(5-bromothiophen-2-yl)-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
CID 106044016
N-[(2-bromo-4-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 115556824
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
N-[(2-bromo-4-methylphenyl)methyl]pent-3-yn-1-amine
CID 115978395
2-(5-bromothiophen-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 106047099
4-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-3-chlorobenzamide
CID 106046852
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
CID 103773107
2-(5-bromothiophen-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 113227156
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
methyl 3-bromo-4-[[(5-bromothiophen-2-yl)methylamino]methyl]benzoate
CID 102766544

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine (CID 114140050) is N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine is Cc1ccc(CNCCc2ccc(Br)s2)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine?
The InChIKey is ZUGUENHQTSWAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-10-2-3-11(13(15)8-10)9-17-7-6-12-4-5-14(16)18-12/h2-5,8,17H,6-7,9H2,1H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine?
N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine has a molecular weight of 389.16 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 114140050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).