2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide

C14H20Br2N2O2 — CID 107741750

IUPAC2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCNCc1cc(Br)c(OC(C)C(=O)NC(C)C)c(Br)c1
InChIInChI=1S/C14H20Br2N2O2/c1-8(2)18-14(19)9(3)20-13-11(15)5-10(7-17-4)6-12(13)16/h5-6,8-9,17H,7H2,1-4H3,(H,18,19)
InChIKeyBUCDXOLZXXWKQD-UHFFFAOYSA-N
MW408.13 g/mol
LogP3.22
Rot. Bonds6

About 2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide

2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide (PubChem CID 107741750) has the molecular formula C14H20Br2N2O2 and a molecular weight of 408.13 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
PubChem CID107741750
Molecular FormulaC14H20Br2N2O2
Molecular Weight408.13 g/mol
Exact Mass405.99
IUPAC Name2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
SMILESCNCc1cc(Br)c(OC(C)C(=O)NC(C)C)c(Br)c1
InChIInChI=1S/C14H20Br2N2O2/c1-8(2)18-14(19)9(3)20-13-11(15)5-10(7-17-4)6-12(13)16/h5-6,8-9,17H,7H2,1-4H3,(H,18,19)
InChIKeyBUCDXOLZXXWKQD-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.13
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-carbamoyl-2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]propanamide
CID 107741741
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide
CID 107739613
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 115961088
2-[2,6-dibromo-4-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 107743993
2-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylpropanamide
CID 60890045
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-pentan-3-ylpropanamide
CID 107741417
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-pentan-3-ylpropanamide
CID 63045151
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107738922
2-(2-bromo-6-ethoxy-4-formylphenoxy)-N-propan-2-ylpropanamide
CID 43627073
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43276640
2-[2-bromo-6-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 61389625
ethyl 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]propanoate
CID 79892083

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide (CID 107741750) is 2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide is CNCc1cc(Br)c(OC(C)C(=O)NC(C)C)c(Br)c1.
What is the InChIKey of 2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is BUCDXOLZXXWKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2/c1-8(2)18-14(19)9(3)20-13-11(15)5-10(7-17-4)6-12(13)16/h5-6,8-9,17H,7H2,1-4H3,(H,18,19).
What are the key properties of 2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide?
2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 408.13 g/mol, XLogP of 3.22, 6 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-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 107741750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).