1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine

C16H17BrClNO2 — CID 62459974

IUPAC1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCOc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H17BrClNO2/c1-19-11-12-2-5-14(6-3-12)20-8-9-21-16-7-4-13(18)10-15(16)17/h2-7,10,19H,8-9,11H2,1H3
InChIKeySYVBKSMHKPIHKP-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.28
Rot. Bonds7

About 1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine

1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62459974) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62459974
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCOc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H17BrClNO2/c1-19-11-12-2-5-14(6-3-12)20-8-9-21-16-7-4-13(18)10-15(16)17/h2-7,10,19H,8-9,11H2,1H3
InChIKeySYVBKSMHKPIHKP-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.28
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

4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
CID 43365979
N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
CID 17430448
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
1-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459792
1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
CID 65430834
1-[4-[(2,4-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 62459209
N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
CID 43283476
1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
CID 62936941
1-[3-[2-(2-bromo-4-methylphenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62460354
2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene
CID 59330882
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine (CID 62459974) is 1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCCOc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is SYVBKSMHKPIHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-19-11-12-2-5-14(6-3-12)20-8-9-21-16-7-4-13(18)10-15(16)17/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of 1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine?
1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 370.67 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62459974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).