1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine

C15H13Cl2F2NO — CID 60966548

IUPAC1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1Cl)c1c(F)cc(OC)cc1F
InChIInChI=1S/C15H13Cl2F2NO/c1-20-15(9-4-3-5-10(16)14(9)17)13-11(18)6-8(21-2)7-12(13)19/h3-7,15,20H,1-2H3
InChIKeyFKKURCMQUNWTKX-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.59
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine

1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 60966548) has the molecular formula C15H13Cl2F2NO and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID60966548
Molecular FormulaC15H13Cl2F2NO
Molecular Weight332.18 g/mol
Exact Mass331.03
IUPAC Name1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1Cl)c1c(F)cc(OC)cc1F
InChIInChI=1S/C15H13Cl2F2NO/c1-20-15(9-4-3-5-10(16)14(9)17)13-11(18)6-8(21-2)7-12(13)19/h3-7,15,20H,1-2H3
InChIKeyFKKURCMQUNWTKX-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966402
1-(5-chloro-2-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60964483
1-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 115851434
1-(2-bromo-6-fluorophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 114887024
1-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561896
1-(2,6-dichlorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 43485716
1-(2-bromo-4-fluorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60965991
1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025001
1-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025147
1-(2,3-dichlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79724980
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine (CID 60966548) is 1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1Cl)c1c(F)cc(OC)cc1F.
What is the InChIKey of 1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is FKKURCMQUNWTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO/c1-20-15(9-4-3-5-10(16)14(9)17)13-11(18)6-8(21-2)7-12(13)19/h3-7,15,20H,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 332.18 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 60966548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).