3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide

C14H18Br2N2O2 — CID 107743597

IUPAC3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
SMILESCC(COc1c(Br)cc(CNC2CC2)cc1Br)C(N)=O
InChIInChI=1S/C14H18Br2N2O2/c1-8(14(17)19)7-20-13-11(15)4-9(5-12(13)16)6-18-10-2-3-10/h4-5,8,10,18H,2-3,6-7H2,1H3,(H2,17,19)
InChIKeyJNQXOPXBLWQNLN-UHFFFAOYSA-N
MW406.12 g/mol
LogP2.96
Rot. Bonds7

About 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide

3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide (PubChem CID 107743597) has the molecular formula C14H18Br2N2O2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
PubChem CID107743597
Molecular FormulaC14H18Br2N2O2
Molecular Weight406.12 g/mol
Exact Mass403.97
IUPAC Name3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
SMILESCC(COc1c(Br)cc(CNC2CC2)cc1Br)C(N)=O
InChIInChI=1S/C14H18Br2N2O2/c1-8(14(17)19)7-20-13-11(15)4-9(5-12(13)16)6-18-10-2-3-10/h4-5,8,10,18H,2-3,6-7H2,1H3,(H2,17,19)
InChIKeyJNQXOPXBLWQNLN-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.12
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,6-dibromo-4-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 107742264
methyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743288
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-2-methylpropanamide
CID 107739856
ethyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743418
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
methyl 4-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 107743136
2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol
CID 107743238
4-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62319975
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 107743568
N-[[3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 106437185
N-[(3,5-dibromo-4-pentan-3-yloxyphenyl)methyl]cyclopropanamine
CID 107743424
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide (CID 107743597) is 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide is CC(COc1c(Br)cc(CNC2CC2)cc1Br)C(N)=O.
What is the InChIKey of 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide?
The InChIKey is JNQXOPXBLWQNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O2/c1-8(14(17)19)7-20-13-11(15)4-9(5-12(13)16)6-18-10-2-3-10/h4-5,8,10,18H,2-3,6-7H2,1H3,(H2,17,19).
What are the key properties of 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide?
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide has a molecular weight of 406.12 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide is sourced from PubChem (CID 107743597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).