2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide

C14H20Br2N2O2 — CID 107739613

IUPAC2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1c(Br)cc(CCN)cc1Br
InChIInChI=1S/C14H20Br2N2O2/c1-8(2)18-14(19)9(3)20-13-11(15)6-10(4-5-17)7-12(13)16/h6-9H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyCBABUGNSWPEGMW-UHFFFAOYSA-N
MW408.13 g/mol
LogP3.00
Rot. Bonds6

About 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide

2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide (PubChem CID 107739613) has the molecular formula C14H20Br2N2O2 and a molecular weight of 408.13 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide
PubChem CID107739613
Molecular FormulaC14H20Br2N2O2
Molecular Weight408.13 g/mol
Exact Mass405.99
IUPAC Name2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1c(Br)cc(CCN)cc1Br
InChIInChI=1S/C14H20Br2N2O2/c1-8(2)18-14(19)9(3)20-13-11(15)6-10(4-5-17)7-12(13)16/h6-9H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyCBABUGNSWPEGMW-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 107741750
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-(2-methoxyethyl)propanamide
CID 107739572
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-pentan-3-ylpropanamide
CID 107741417
2-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60906103
2-(3,5-dibromo-4-butan-2-yloxyphenyl)ethanamine
CID 107739581
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-butan-2-ylacetamide
CID 107739637
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
CID 60906218
N-carbamoyl-2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]propanamide
CID 107741741
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]acetamide
CID 107739480
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107738922
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-butan-2-ylpropanamide
CID 61391965

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide (CID 107739613) is 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1c(Br)cc(CCN)cc1Br.
What is the InChIKey of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide?
The InChIKey is CBABUGNSWPEGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2/c1-8(2)18-14(19)9(3)20-13-11(15)6-10(4-5-17)7-12(13)16/h6-9H,4-5,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide?
2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide has a molecular weight of 408.13 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2,6-dibromophenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 107739613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).