2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide

C14H19BrN2O2 — CID 62368885

IUPAC2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCC(N)c1cc(Br)ccc1OCC(=O)N(C)C1CC1
InChIInChI=1S/C14H19BrN2O2/c1-9(16)12-7-10(15)3-6-13(12)19-8-14(18)17(2)11-4-5-11/h3,6-7,9,11H,4-5,8,16H2,1-2H3
InChIKeyDVRVWMLDADDISR-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.47
Rot. Bonds5

About 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide

2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide (PubChem CID 62368885) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide
PubChem CID62368885
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCC(N)c1cc(Br)ccc1OCC(=O)N(C)C1CC1
InChIInChI=1S/C14H19BrN2O2/c1-9(16)12-7-10(15)3-6-13(12)19-8-14(18)17(2)11-4-5-11/h3,6-7,9,11H,4-5,8,16H2,1-2H3
InChIKeyDVRVWMLDADDISR-UHFFFAOYSA-N
XLogP2.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 78937363
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-cyclopropyl-N-methylacetamide
CID 63051843
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-ethyl-N-methylacetamide
CID 78932238
2-(3-bromophenoxy)-N-cyclopropyl-N-methylacetamide
CID 61488607
(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63367642
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 62072702
2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 112786473
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-prop-2-ynylacetamide
CID 62369865
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
CID 62369379
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide (CID 62368885) is 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide is CC(N)c1cc(Br)ccc1OCC(=O)N(C)C1CC1.
What is the InChIKey of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide?
The InChIKey is DVRVWMLDADDISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9(16)12-7-10(15)3-6-13(12)19-8-14(18)17(2)11-4-5-11/h3,6-7,9,11H,4-5,8,16H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide?
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide has a molecular weight of 327.22 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 62368885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).