1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine

C15H16BrNO — CID 60880082

IUPAC1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO/c1-17-10-12-5-7-15(8-6-12)18-11-13-3-2-4-14(16)9-13/h2-9,17H,10-11H2,1H3
InChIKeyAUSPZJLXHTXILI-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.75
Rot. Bonds5

About 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine

1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 60880082) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID60880082
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cccc(Br)c2)cc1
InChIInChI=1S/C15H16BrNO/c1-17-10-12-5-7-15(8-6-12)18-11-13-3-2-4-14(16)9-13/h2-9,17H,10-11H2,1H3
InChIKeyAUSPZJLXHTXILI-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63063568
1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891483
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
CID 60882964
N-methyl-1-[3-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 62548589
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
1-[4-[(3-bromophenyl)methoxy]phenyl]propan-2-ol
CID 115495740
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494906
methyl 3-[4-[(3-bromophenyl)methoxy]phenyl]propanoate
CID 23136270
(1S)-1-[4-[(3-bromophenyl)methoxy]phenyl]ethanamine
CID 55190790

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine (CID 60880082) is 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCc2cccc(Br)c2)cc1.
What is the InChIKey of 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is AUSPZJLXHTXILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-17-10-12-5-7-15(8-6-12)18-11-13-3-2-4-14(16)9-13/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 306.20 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 60880082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).