1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine

C16H18BrNO2 — CID 62450311

IUPAC1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCOc1ccccc1Br
InChIInChI=1S/C16H18BrNO2/c1-18-12-13-6-2-4-8-15(13)19-10-11-20-16-9-5-3-7-14(16)17/h2-9,18H,10-12H2,1H3
InChIKeySLFRGKGNWLAJPW-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.63
Rot. Bonds7

About 1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine

1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62450311) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62450311
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCOc1ccccc1Br
InChIInChI=1S/C16H18BrNO2/c1-18-12-13-6-2-4-8-15(13)19-10-11-20-16-9-5-3-7-14(16)17/h2-9,18H,10-12H2,1H3
InChIKeySLFRGKGNWLAJPW-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485270
1-[2-(2-but-3-enoxyethoxy)phenyl]-N-methylmethanamine
CID 62443049
1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62485918
N-methyl-1-[2-(2-pentan-2-yloxyethoxy)phenyl]methanamine
CID 102986888
1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
CID 171578951
N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine
CID 62440897
N-methyl-1-[2-(2-pent-4-enoxyethoxy)phenyl]methanamine
CID 79114279
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
CID 54879203
N-methyl-1-[2-[2-(2-pyridin-2-ylethoxy)ethoxy]phenyl]methanamine
CID 62455565
1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62449080
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine (CID 62450311) is 1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccccc1OCCOc1ccccc1Br.
What is the InChIKey of 1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is SLFRGKGNWLAJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-18-12-13-6-2-4-8-15(13)19-10-11-20-16-9-5-3-7-14(16)17/h2-9,18H,10-12H2,1H3.
What are the key properties of 1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine?
1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62450311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).