1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine

C17H19F2NO — CID 82803167

IUPAC1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H19F2NO/c1-4-21-14-8-6-5-7-12(14)17(20-3)15-13(18)10-9-11(2)16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeySQVFUMJMOIFNMF-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.98
Rot. Bonds5

About 1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine

1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine (PubChem CID 82803167) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
PubChem CID82803167
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1c(F)ccc(C)c1F
InChIInChI=1S/C17H19F2NO/c1-4-21-14-8-6-5-7-12(14)17(20-3)15-13(18)10-9-11(2)16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeySQVFUMJMOIFNMF-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine (CID 82803167) is 1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine is CCOc1ccccc1C(NC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is SQVFUMJMOIFNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-4-21-14-8-6-5-7-12(14)17(20-3)15-13(18)10-9-11(2)16(15)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 291.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 82803167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).