ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate

C14H20BrNO3 — CID 116821214

IUPACethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate
SMILESCCOC(=O)C(N)CC(C)(C)Oc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-4-18-13(17)12(16)9-14(2,3)19-11-7-5-10(15)6-8-11/h5-8,12H,4,9,16H2,1-3H3
InChIKeyAHNBBBUWMIBHJQ-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.89
Rot. Bonds6

About ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate

ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate (PubChem CID 116821214) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate
PubChem CID116821214
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Nameethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate
SMILESCCOC(=O)C(N)CC(C)(C)Oc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO3/c1-4-18-13(17)12(16)9-14(2,3)19-11-7-5-10(15)6-8-11/h5-8,12H,4,9,16H2,1-3H3
InChIKeyAHNBBBUWMIBHJQ-UHFFFAOYSA-N
XLogP2.89
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2,2-bis(4-bromophenoxy)propanedioate
CID 154094216
ethyl 2-amino-3-[5-[(4-bromophenoxy)methyl]furan-2-yl]propanoate
CID 170885387
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl 2-(4-bromophenoxy)-3-methylbutanoate
CID 53269458
1-bromo-4-(1-bromo-2-methylpropan-2-yl)oxybenzene
CID 68761219
ethyl 3-(4-bromophenoxy)-2-methylbutanoate
CID 146594180
diethyl 2-[1-(4-bromophenyl)-2-methylpropan-2-yl]propanedioate
CID 15711983
2-(4-bromophenoxy)-2-methoxypropanamide
CID 90758901
ethyl (2R)-2-amino-2-(4-bromophenyl)propanoate
CID 10730860
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
CID 93320084
ethyl 2-(4-bromophenyl)butanoate
CID 57082745
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate?
The IUPAC name of ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate (CID 116821214) is ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate?
The canonical SMILES for ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate is CCOC(=O)C(N)CC(C)(C)Oc1ccc(Br)cc1.
What is the InChIKey of ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate?
The InChIKey is AHNBBBUWMIBHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-4-18-13(17)12(16)9-14(2,3)19-11-7-5-10(15)6-8-11/h5-8,12H,4,9,16H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate?
ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate has a molecular weight of 330.22 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-bromophenoxy)-4-methylpentanoate is sourced from PubChem (CID 116821214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).