1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

C16H18BrNO2 — CID 60881982

IUPAC1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1OCc1ccc(OC)cc1
InChIInChI=1S/C16H18BrNO2/c1-18-10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(19-2)7-4-12/h3-9,18H,10-11H2,1-2H3
InChIKeyYEOOIVKXSUIYGM-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.76
Rot. Bonds6

About 1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine

1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 60881982) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID60881982
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)ccc1OCc1ccc(OC)cc1
InChIInChI=1S/C16H18BrNO2/c1-18-10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(19-2)7-4-12/h3-9,18H,10-11H2,1-2H3
InChIKeyYEOOIVKXSUIYGM-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

N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126118057
1-[5-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 102876048
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63323232
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292844
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292866
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 61028878
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724119
1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880406
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
N'-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17295184
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724122

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine (CID 60881982) is 1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(Br)ccc1OCc1ccc(OC)cc1.
What is the InChIKey of 1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is YEOOIVKXSUIYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-18-10-13-9-14(17)5-8-16(13)20-11-12-3-6-15(19-2)7-4-12/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine?
1-[5-bromo-2-[(4-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-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 60881982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).