N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine

C14H15Br2NOS — CID 63498834

IUPACN-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Br)c1OCc1cc(Br)cs1
InChIInChI=1S/C14H15Br2NOS/c1-2-17-7-10-4-3-5-13(16)14(10)18-8-12-6-11(15)9-19-12/h3-6,9,17H,2,7-8H2,1H3
InChIKeyNKFSUPWFPMDIDU-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.96
Rot. Bonds6

About N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine

N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 63498834) has the molecular formula C14H15Br2NOS and a molecular weight of 405.16 g/mol. Its IUPAC name is N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID63498834
Molecular FormulaC14H15Br2NOS
Molecular Weight405.16 g/mol
Exact Mass402.92
IUPAC NameN-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Br)c1OCc1cc(Br)cs1
InChIInChI=1S/C14H15Br2NOS/c1-2-17-7-10-4-3-5-13(16)14(10)18-8-12-6-11(15)9-19-12/h3-6,9,17H,2,7-8H2,1H3
InChIKeyNKFSUPWFPMDIDU-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63059944
N-[[3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63020469
N-[[5-bromo-2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961197
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 62699145
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499927
N-[[3-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 61390087
N-[[3-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63501536
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695728
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
N-[[2-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955214
4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
CID 63457355
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine (CID 63498834) is N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(Br)c1OCc1cc(Br)cs1.
What is the InChIKey of N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is NKFSUPWFPMDIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NOS/c1-2-17-7-10-4-3-5-13(16)14(10)18-8-12-6-11(15)9-19-12/h3-6,9,17H,2,7-8H2,1H3.
What are the key properties of N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 405.16 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63498834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).