N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine

C11H14BrNO2 — CID 57163135

IUPACN-(2-bromoethoxy)-2-methoxy-1-phenylethenamine
SMILESCOC=C(NOCCBr)c1ccccc1
InChIInChI=1S/C11H14BrNO2/c1-14-9-11(13-15-8-7-12)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3
InChIKeyZRGKEFAOYIFNMX-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.55
Rot. Bonds6

About N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine

N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine (PubChem CID 57163135) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine.

Molecular Properties

Compound NameN-(2-bromoethoxy)-2-methoxy-1-phenylethenamine
PubChem CID57163135
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(2-bromoethoxy)-2-methoxy-1-phenylethenamine
SMILESCOC=C(NOCCBr)c1ccccc1
InChIInChI=1S/C11H14BrNO2/c1-14-9-11(13-15-8-7-12)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3
InChIKeyZRGKEFAOYIFNMX-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine 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

Phenyloxazine
CID 53643691
N-(2-bromoethoxy)-1,2-bis(2-fluorophenyl)ethenamine
CID 57042642
1-(2-fluorophenyl)-N-methoxyethenamine
CID 57082075
N-(2-bromoethoxy)-1,2-bis(4-fluorophenyl)ethenamine
CID 57110229
1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
CID 57266923
1-(4-fluorophenyl)-N-methoxyethenamine
CID 90882872
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
CID 90980629
3-(4-fluorophenyl)-5-(methoxymethylidene)-4-methyl-2H-1,2-oxazole
CID 91179463
3-(4-fluorophenyl)-5-(methoxymethylidene)-2H-1,2-oxazole
CID 91239341
2-bromo-N-ethoxy-1-[4-(trifluoromethyl)phenyl]ethenamine
CID 91346357
2-bromo-1-(4-fluorophenyl)-N-methoxyethenamine
CID 91449813
[(Z)-1-azido-2-methoxyethenyl]benzene
CID 14088932

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine?
The IUPAC name of N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine (CID 57163135) is N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine.
What is the SMILES notation for N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine?
The canonical SMILES for N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine is COC=C(NOCCBr)c1ccccc1.
What is the InChIKey of N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine?
The InChIKey is ZRGKEFAOYIFNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-14-9-11(13-15-8-7-12)10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3.
What are the key properties of N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine?
N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine has a molecular weight of 272.14 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethoxy)-2-methoxy-1-phenylethenamine is sourced from PubChem (CID 57163135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).