1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine

C15H14BrClFNO — CID 63045148

IUPAC1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C15H14BrClFNO/c1-19-8-10-2-5-15(13(16)6-10)20-9-11-3-4-12(18)7-14(11)17/h2-7,19H,8-9H2,1H3
InChIKeyRWPZNWOALXYJOV-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.54
Rot. Bonds5

About 1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine

1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 63045148) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID63045148
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C15H14BrClFNO/c1-19-8-10-2-5-15(13(16)6-10)20-9-11-3-4-12(18)7-14(11)17/h2-7,19H,8-9H2,1H3
InChIKeyRWPZNWOALXYJOV-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-[(4-fluoro-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102773941
1-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457535
1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045660
1-[3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 79704143
1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 102772944
1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene
CID 107691509
1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115961108
3-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107114250
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126127915
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
1-[3,5-dibromo-4-[(2,5-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741643
1-[3,5-dibromo-4-[(2-chloro-4-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741724

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine (CID 63045148) is 1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCc2ccc(F)cc2Cl)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is RWPZNWOALXYJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-19-8-10-2-5-15(13(16)6-10)20-9-11-3-4-12(18)7-14(11)17/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 63045148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).