N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine

C13H19Br2NO2 — CID 107743616

IUPACN-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOCOc1c(Br)cc(CNC(C)(C)C)cc1Br
InChIInChI=1S/C13H19Br2NO2/c1-13(2,3)16-7-9-5-10(14)12(11(15)6-9)18-8-17-4/h5-6,16H,7-8H2,1-4H3
InChIKeyUQDNBQVCLOCASS-UHFFFAOYSA-N
MW381.11 g/mol
LogP4.08
Rot. Bonds5

About N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107743616) has the molecular formula C13H19Br2NO2 and a molecular weight of 381.11 g/mol. Its IUPAC name is N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID107743616
Molecular FormulaC13H19Br2NO2
Molecular Weight381.11 g/mol
Exact Mass378.98
IUPAC NameN-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOCOc1c(Br)cc(CNC(C)(C)C)cc1Br
InChIInChI=1S/C13H19Br2NO2/c1-13(2,3)16-7-9-5-10(14)12(11(15)6-9)18-8-17-4/h5-6,16H,7-8H2,1-4H3
InChIKeyUQDNBQVCLOCASS-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-dibromo-4-(4-methoxybutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107743703
1-[3,5-dibromo-4-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 107741642
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156933
N-[[3,5-dibromo-4-(2-methoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107743677
N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107742274
N-[[3-chloro-5-methoxy-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 65365611
4-[2,6-dibromo-4-[(tert-butylamino)methyl]phenoxy]butan-1-ol
CID 107743612
N-[[3,5-dibromo-4-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107743766
1,3-dibromo-2,5-bis(methoxymethoxy)benzene
CID 21364580
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 3546377
N-[(3-bromo-4-butan-2-yloxy-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056484
N-[[3-bromo-5-methoxy-4-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65365362

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 107743616) is N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine is COCOc1c(Br)cc(CNC(C)(C)C)cc1Br.
What is the InChIKey of N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is UQDNBQVCLOCASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Br2NO2/c1-13(2,3)16-7-9-5-10(14)12(11(15)6-9)18-8-17-4/h5-6,16H,7-8H2,1-4H3.
What are the key properties of N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 381.11 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dibromo-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107743616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).