2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide

C15H22Br2N2O2 — CID 107743993

IUPAC2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(Br)cc(CNCC(C)C)cc1Br
InChIInChI=1S/C15H22Br2N2O2/c1-9(2)7-19-8-11-5-12(16)14(13(17)6-11)21-10(3)15(20)18-4/h5-6,9-10,19H,7-8H2,1-4H3,(H,18,20)
InChIKeyXPFVQXDZBCYODV-UHFFFAOYSA-N
MW422.16 g/mol
LogP3.47
Rot. Bonds7

About 2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide

2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide (PubChem CID 107743993) has the molecular formula C15H22Br2N2O2 and a molecular weight of 422.16 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
PubChem CID107743993
Molecular FormulaC15H22Br2N2O2
Molecular Weight422.16 g/mol
Exact Mass420.00
IUPAC Name2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c(Br)cc(CNCC(C)C)cc1Br
InChIInChI=1S/C15H22Br2N2O2/c1-9(2)7-19-8-11-5-12(16)14(13(17)6-11)21-10(3)15(20)18-4/h5-6,9-10,19H,7-8H2,1-4H3,(H,18,20)
InChIKeyXPFVQXDZBCYODV-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.16
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-difluoro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 79883879
2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylacetamide
CID 107744239
2-[2-bromo-6-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63057169
N-methyl-2-[3-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 63056226
2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 107741750
N-carbamoyl-2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]propanamide
CID 107741741
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 63058381
N-[[3,5-dibromo-4-(4-methoxybutan-2-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107744122
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17155625
2-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63061683
(E)-3-[3,5-dibromo-4-[1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoic acid
CID 107739291
N-[[3,5-dibromo-4-(3-methylbut-3-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107744383

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide (CID 107743993) is 2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1c(Br)cc(CNCC(C)C)cc1Br.
What is the InChIKey of 2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
The InChIKey is XPFVQXDZBCYODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Br2N2O2/c1-9(2)7-19-8-11-5-12(16)14(13(17)6-11)21-10(3)15(20)18-4/h5-6,9-10,19H,7-8H2,1-4H3,(H,18,20).
What are the key properties of 2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide?
2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide has a molecular weight of 422.16 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 107743993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).