1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine

C15H14BrClFNO — CID 107946612

IUPAC1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cc(F)ccc1OC
InChIInChI=1S/C15H14BrClFNO/c1-19-15(9-5-10(16)7-11(17)6-9)13-8-12(18)3-4-14(13)20-2/h3-8,15,19H,1-2H3
InChIKeyDVLYYHXBTYGZSS-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.56
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine

1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine (PubChem CID 107946612) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
PubChem CID107946612
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cc(F)ccc1OC
InChIInChI=1S/C15H14BrClFNO/c1-19-15(9-5-10(16)7-11(17)6-9)13-8-12(18)3-4-14(13)20-2/h3-8,15,19H,1-2H3
InChIKeyDVLYYHXBTYGZSS-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 114020376
1-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485696
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107951008
1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107976936
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
[(3-bromo-5-chlorophenyl)-(2,5-dimethoxyphenyl)methyl]hydrazine
CID 107948215
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545947
1-(2-bromo-3,4-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107539013
1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485716
1-(3-bromo-5-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 107947096
1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine
CID 107950619
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine (CID 107946612) is 1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine is CNC(c1cc(Cl)cc(Br)c1)c1cc(F)ccc1OC.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
The InChIKey is DVLYYHXBTYGZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-19-15(9-5-10(16)7-11(17)6-9)13-8-12(18)3-4-14(13)20-2/h3-8,15,19H,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine?
1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine has a molecular weight of 358.64 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 107946612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).