1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

C16H18BrNO2 — CID 63045660

IUPAC1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccccc2OC)c(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-18-10-12-7-8-16(14(17)9-12)20-11-13-5-3-4-6-15(13)19-2/h3-9,18H,10-11H2,1-2H3
InChIKeyDHMVPHFJRDHBBV-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.76
Rot. Bonds6

About 1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 63045660) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID63045660
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccccc2OC)c(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-18-10-12-7-8-16(14(17)9-12)20-11-13-5-3-4-6-15(13)19-2/h3-9,18H,10-11H2,1-2H3
InChIKeyDHMVPHFJRDHBBV-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 55145987
1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045148
1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 102772944
3-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107114250
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207485
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
1-[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 79406092
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495
1-[3-bromo-4-[(2,3-dimethylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102772902
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
1-[3-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 102981053

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (CID 63045660) is 1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCc2ccccc2OC)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is DHMVPHFJRDHBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-18-10-12-7-8-16(14(17)9-12)20-11-13-5-3-4-6-15(13)19-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 63045660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).