1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine

C15H14ClF2NO — CID 43561906

IUPAC1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H14ClF2NO/c1-19-15(9-5-10(17)7-11(18)6-9)13-4-3-12(20-2)8-14(13)16/h3-8,15,19H,1-2H3
InChIKeyZVRIIDVOSRVKIJ-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.94
Rot. Bonds4

About 1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine

1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine (PubChem CID 43561906) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
PubChem CID43561906
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(F)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C15H14ClF2NO/c1-19-15(9-5-10(17)7-11(18)6-9)13-4-3-12(20-2)8-14(13)16/h3-8,15,19H,1-2H3
InChIKeyZVRIIDVOSRVKIJ-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 43561947
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215110
1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43561996
1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 107998666
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
1-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561405
1-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561896
1-(2-chloro-4-methoxyphenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43561902
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 63502754
1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561945
1-(4-chloro-3-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 107992337

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine (CID 43561906) is 1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine is CNC(c1cc(F)cc(F)c1)c1ccc(OC)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine?
The InChIKey is ZVRIIDVOSRVKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-19-15(9-5-10(17)7-11(18)6-9)13-4-3-12(20-2)8-14(13)16/h3-8,15,19H,1-2H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine?
1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine has a molecular weight of 297.73 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43561906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).