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

C15H20Br2N2O2 — CID 107743568

IUPAC3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1c(Br)cc(CNC2CC2)cc1Br
InChIInChI=1S/C15H20Br2N2O2/c1-2-18-14(20)5-6-21-15-12(16)7-10(8-13(15)17)9-19-11-3-4-11/h7-8,11,19H,2-6,9H2,1H3,(H,18,20)
InChIKeyMWNLFZQIROBSBD-UHFFFAOYSA-N
MW420.15 g/mol
LogP3.37
Rot. Bonds8

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

3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide (PubChem CID 107743568) has the molecular formula C15H20Br2N2O2 and a molecular weight of 420.15 g/mol. Its IUPAC name is 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
PubChem CID107743568
Molecular FormulaC15H20Br2N2O2
Molecular Weight420.15 g/mol
Exact Mass417.99
IUPAC Name3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1c(Br)cc(CNC2CC2)cc1Br
InChIInChI=1S/C15H20Br2N2O2/c1-2-18-14(20)5-6-21-15-12(16)7-10(8-13(15)17)9-19-11-3-4-11/h7-8,11,19H,2-6,9H2,1H3,(H,18,20)
InChIKeyMWNLFZQIROBSBD-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.15
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 107743136
2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol
CID 107743238
3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 62324920
methyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743288
3,5-dibromo-4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 107738631
ethyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743418
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide
CID 107739892
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 107743597
4-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62319975
N-[(3,5-dibromo-4-pentan-3-yloxyphenyl)methyl]cyclopropanamine
CID 107743424
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182
N-[[3,5-dibromo-4-(3-chloro-2-methylprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 106437185

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide (CID 107743568) is 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide is CCNC(=O)CCOc1c(Br)cc(CNC2CC2)cc1Br.
What is the InChIKey of 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
The InChIKey is MWNLFZQIROBSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O2/c1-2-18-14(20)5-6-21-15-12(16)7-10(8-13(15)17)9-19-11-3-4-11/h7-8,11,19H,2-6,9H2,1H3,(H,18,20).
What are the key properties of 3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide has a molecular weight of 420.15 g/mol, XLogP of 3.37, 8 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]-N-ethylpropanamide is sourced from PubChem (CID 107743568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).