1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine

C16H18BrNO — CID 63323232

IUPAC1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO/c1-12-3-8-16(14(9-12)10-18-2)19-11-13-4-6-15(17)7-5-13/h3-9,18H,10-11H2,1-2H3
InChIKeyODQASHFWPLFDQU-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.06
Rot. Bonds5

About 1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine

1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine (PubChem CID 63323232) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
PubChem CID63323232
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(C)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO/c1-12-3-8-16(14(9-12)10-18-2)19-11-13-4-6-15(17)7-5-13/h3-9,18H,10-11H2,1-2H3
InChIKeyODQASHFWPLFDQU-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63322567
1-[5-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60881982
N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126140521
N-methyl-1-[5-methyl-2-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 63323196
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
1-[2-[(2-bromo-5-methoxyphenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 65321998
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914
1-[5-bromo-2-[(4-bromophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115960973
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17055271
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 114930094

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine (CID 63323232) is 1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine is CNCc1cc(C)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
The InChIKey is ODQASHFWPLFDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-12-3-8-16(14(9-12)10-18-2)19-11-13-4-6-15(17)7-5-13/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine?
1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63323232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).