1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine

C16H18BrNO — CID 43284836

IUPAC1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1Oc1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-3-18-12(2)13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h4-12,18H,3H2,1-2H3
InChIKeyVROIKXFHYWUQFA-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.91
Rot. Bonds5

About 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine

1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine (PubChem CID 43284836) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
PubChem CID43284836
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccccc1Oc1ccccc1Br
InChIInChI=1S/C16H18BrNO/c1-3-18-12(2)13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h4-12,18H,3H2,1-2H3
InChIKeyVROIKXFHYWUQFA-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine 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

1-[2-(2-bromophenoxy)phenyl]-N-methylethanamine
CID 43284837
N-ethyl-1-[2-(4-methoxyphenoxy)phenyl]ethanamine
CID 43285624
1-[2-(2,6-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 43285276
1-[4-(2-bromophenoxy)-3-chlorophenyl]-N-ethylethanamine
CID 63533897
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
N-ethyl-1-[2-(2-methylpropoxy)phenyl]ethanamine
CID 43279591
(1R)-1-[2-(2-bromophenoxy)phenyl]propan-1-ol
CID 113359072
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83126946
1-[4-bromo-2-(2-methylsulfanylphenoxy)phenyl]-N-ethylethanamine
CID 82953588
1-[2-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 60882508

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine (CID 43284836) is 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccccc1Oc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine?
The InChIKey is VROIKXFHYWUQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-3-18-12(2)13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h4-12,18H,3H2,1-2H3.
What are the key properties of 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine?
1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 43284836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).