1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine

C15H13Cl2F2NO — CID 79881837

IUPAC1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C15H13Cl2F2NO/c1-20-7-9-5-13(18)15(14(19)6-9)21-8-10-11(16)3-2-4-12(10)17/h2-6,20H,7-8H2,1H3
InChIKeyAOMJPAHAQGGXRG-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.57
Rot. Bonds5

About 1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine

1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine (PubChem CID 79881837) has the molecular formula C15H13Cl2F2NO and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
PubChem CID79881837
Molecular FormulaC15H13Cl2F2NO
Molecular Weight332.18 g/mol
Exact Mass331.03
IUPAC Name1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(OCc2c(Cl)cccc2Cl)c(F)c1
InChIInChI=1S/C15H13Cl2F2NO/c1-20-7-9-5-13(18)15(14(19)6-9)21-8-10-11(16)3-2-4-12(10)17/h2-6,20H,7-8H2,1H3
InChIKeyAOMJPAHAQGGXRG-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-chloro-4-methylphenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 106861886
1-[4-[(3-bromophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891483
1-[4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891927
1-[3,5-difluoro-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79891486
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79881861
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79891772
1-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]-N-methylmethanamine
CID 80698852
1-[3,5-dibromo-4-[(2,6-dimethylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741928
1-[3,5-difluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640440
5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
CID 114930615
1-[3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741707

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine (CID 79881837) is 1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine is CNCc1cc(F)c(OCc2c(Cl)cccc2Cl)c(F)c1.
What is the InChIKey of 1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
The InChIKey is AOMJPAHAQGGXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO/c1-20-7-9-5-13(18)15(14(19)6-9)21-8-10-11(16)3-2-4-12(10)17/h2-6,20H,7-8H2,1H3.
What are the key properties of 1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine?
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine has a molecular weight of 332.18 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 79881837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).