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

C17H20BrNO2 — CID 65430834

IUPAC1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCc2ccc(OC)cc2)c(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-19-12-14-5-8-17(16(18)11-14)21-10-9-13-3-6-15(20-2)7-4-13/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyDDUVOBMCHZSJKQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.80
Rot. Bonds7

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

1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 65430834) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID65430834
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCc2ccc(OC)cc2)c(Br)c1
InChIInChI=1S/C17H20BrNO2/c1-19-12-14-5-8-17(16(18)11-14)21-10-9-13-3-6-15(20-2)7-4-13/h3-8,11,19H,9-10,12H2,1-2H3
InChIKeyDDUVOBMCHZSJKQ-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
4-[2-(2-bromo-4-methoxyphenoxy)ethyl]pyridine
CID 104707451
[3,5-dibromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]methanol
CID 107738736
1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459974
1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045660
1-[3-bromo-4-(2-ethylbutoxy)phenyl]-N-methylmethanamine
CID 82927336
4-bromo-1-[2-(4-methoxyphenyl)ethoxy]-2-propan-2-ylbenzene
CID 115402000
1-[3-bromo-4-(2-chloroprop-2-enoxy)phenyl]-N-methylmethanamine
CID 63044631
1-[3-bromo-4-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 55145987
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 63044978
2-[2-bromo-4-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 63045317
N-[(3-bromo-4-prop-2-ynoxyphenyl)methyl]-4-methoxyaniline
CID 126128569

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine (CID 65430834) is 1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCCc2ccc(OC)cc2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is DDUVOBMCHZSJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-19-12-14-5-8-17(16(18)11-14)21-10-9-13-3-6-15(20-2)7-4-13/h3-8,11,19H,9-10,12H2,1-2H3.
What are the key properties of 1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[2-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 350.26 g/mol, XLogP of 3.80, 7 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-(4-methoxyphenyl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 65430834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).