N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine

C15H16BrCl2N5O — CID 78363744

IUPACN-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine
SMILESClc1ccc(COc2ccc(Br)cc2CNC2NNNN2)c(Cl)c1
InChIInChI=1S/C15H16BrCl2N5O/c16-11-2-4-14(10(5-11)7-19-15-20-22-23-21-15)24-8-9-1-3-12(17)6-13(9)18/h1-6,15,19-23H,7-8H2
InChIKeyGPZKHVOBFGZILS-UHFFFAOYSA-N
MW433.14 g/mol
LogP2.83
Rot. Bonds6

About N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine

N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine (PubChem CID 78363744) has the molecular formula C15H16BrCl2N5O and a molecular weight of 433.14 g/mol. Its IUPAC name is N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine
PubChem CID78363744
Molecular FormulaC15H16BrCl2N5O
Molecular Weight433.14 g/mol
Exact Mass430.99
IUPAC NameN-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine
SMILESClc1ccc(COc2ccc(Br)cc2CNC2NNNN2)c(Cl)c1
InChIInChI=1S/C15H16BrCl2N5O/c16-11-2-4-14(10(5-11)7-19-15-20-22-23-21-15)24-8-9-1-3-12(17)6-13(9)18/h1-6,15,19-23H,7-8H2
InChIKeyGPZKHVOBFGZILS-UHFFFAOYSA-N
XLogP2.83
TPSA69.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.14
LogP ≤ 52.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17295145
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723049
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331546
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720637
1-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727280
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724122
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-butoxypropan-1-amine
CID 17207665
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine
CID 4723073
4-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-3-methyl-1H-1,2,4-triazole-5-thione
CID 4727737
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207664
2-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17295139

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine?
The IUPAC name of N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine (CID 78363744) is N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine.
What is the SMILES notation for N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine?
The canonical SMILES for N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine is Clc1ccc(COc2ccc(Br)cc2CNC2NNNN2)c(Cl)c1.
What is the InChIKey of N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine?
The InChIKey is GPZKHVOBFGZILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl2N5O/c16-11-2-4-14(10(5-11)7-19-15-20-22-23-21-15)24-8-9-1-3-12(17)6-13(9)18/h1-6,15,19-23H,7-8H2.
What are the key properties of N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine?
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine has a molecular weight of 433.14 g/mol, XLogP of 2.83, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine is sourced from PubChem (CID 78363744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).