1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine

C15H14BrF2NO — CID 79891483

IUPAC1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c1-19-8-11-6-13(17)15(14(18)7-11)20-9-10-3-2-4-12(16)5-10/h2-7,19H,8-9H2,1H3
InChIKeyMEIDXCXKRXEJPT-UHFFFAOYSA-N
MW342.18 g/mol
LogP4.03
Rot. Bonds5

About 1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine

1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine (PubChem CID 79891483) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
PubChem CID79891483
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2cccc(Br)c2)c(F)c1
InChIInChI=1S/C15H14BrF2NO/c1-19-8-11-6-13(17)15(14(18)7-11)20-9-10-3-2-4-12(16)5-10/h2-7,19H,8-9H2,1H3
InChIKeyMEIDXCXKRXEJPT-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(3-bromophenyl)methoxy]phenyl]-N-methylmethanamine
CID 60880082
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79881837
1-[3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741707
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891772
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79881861
1-[2-[(3-bromophenyl)methoxy]-3,5-dichlorophenyl]-N-methylmethanamine
CID 63501527
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925
1-[3,5-difluoro-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79891486
N-[[3,5-difluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882208
1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
CID 60882964
1-[3-[(4-bromo-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 65201443
N-[[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882222

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine (CID 79891483) is 1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine is CNCc1cc(F)c(OCc2cccc(Br)c2)c(F)c1.
What is the InChIKey of 1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The InChIKey is MEIDXCXKRXEJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-19-8-11-6-13(17)15(14(18)7-11)20-9-10-3-2-4-12(16)5-10/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine has a molecular weight of 342.18 g/mol, XLogP of 4.03, 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]-3,5-difluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 79891483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).