2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine

C14H19Br2NO2 — CID 22006770

IUPAC2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine
SMILESCCc1cc(OCC=C(Br)Br)cc(C)c1OCCN
InChIInChI=1S/C14H19Br2NO2/c1-3-11-9-12(18-6-4-13(15)16)8-10(2)14(11)19-7-5-17/h4,8-9H,3,5-7,17H2,1-2H3
InChIKeyIENQDNIHYIHFEL-UHFFFAOYSA-N
MW393.12 g/mol
LogP3.90
Rot. Bonds7

About 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine

2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine (PubChem CID 22006770) has the molecular formula C14H19Br2NO2 and a molecular weight of 393.12 g/mol. Its IUPAC name is 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine
PubChem CID22006770
Molecular FormulaC14H19Br2NO2
Molecular Weight393.12 g/mol
Exact Mass390.98
IUPAC Name2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine
SMILESCCc1cc(OCC=C(Br)Br)cc(C)c1OCCN
InChIInChI=1S/C14H19Br2NO2/c1-3-11-9-12(18-6-4-13(15)16)8-10(2)14(11)19-7-5-17/h4,8-9H,3,5-7,17H2,1-2H3
InChIKeyIENQDNIHYIHFEL-UHFFFAOYSA-N
XLogP3.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine 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

5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentan-1-amine
CID 22006831
2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine
CID 22006865
5-(3,3-dibromoprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dibromoprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene;5-(3,3-dibromoprop-2-enoxy)-2-methoxy-1,3-dimethylbenzene;5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-methoxybenzene;5-(3,3-dichloroprop-2-enoxy)-1-ethyl-2-methoxy-3-propylbenzene
CID 54254510
N-[6-[4-[(E)-3-bromo-3-chloroprop-2-enoxy]-2-ethyl-6-methylphenoxy]hexoxy]propan-2-imine
CID 22963973
2-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]acetaldehyde
CID 54272416
5-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]pentyl N-[(2-methylpropan-2-yl)oxy]ethanimidate
CID 173216439
3-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]propyl N-(3,3-dichloroprop-2-enoxy)ethanimidate
CID 173216311
N-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethoxy]prop-1-en-2-amine
CID 57255270
(NE)-N-[5-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]pentylidene]hydroxylamine
CID 18429714
N-[4-[4-(3,3-difluoroprop-2-enoxy)-2-ethyl-6-methylphenoxy]butoxy]propan-2-imine
CID 22963711
3-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]propan-1-amine
CID 22006787
(NE)-N-[3-[4-[4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-methylphenoxy]butoxy]propylidene]hydroxylamine
CID 18430118

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine?
The IUPAC name of 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine (CID 22006770) is 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine.
What is the SMILES notation for 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine?
The canonical SMILES for 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine is CCc1cc(OCC=C(Br)Br)cc(C)c1OCCN.
What is the InChIKey of 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine?
The InChIKey is IENQDNIHYIHFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO2/c1-3-11-9-12(18-6-4-13(15)16)8-10(2)14(11)19-7-5-17/h4,8-9H,3,5-7,17H2,1-2H3.
What are the key properties of 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine?
2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine has a molecular weight of 393.12 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dibromoprop-2-enoxy)-2-ethyl-6-methylphenoxy]ethanamine is sourced from PubChem (CID 22006770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).