N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine

C18H21F2NO2 — CID 779949

IUPACN-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(CCN(C)Cc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C18H21F2NO2/c1-21(12-14-5-6-15(19)11-16(14)20)9-8-13-4-7-17(22-2)18(10-13)23-3/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyTWJCDJXLJCCMEU-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.66
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine

N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine (PubChem CID 779949) has the molecular formula C18H21F2NO2 and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
PubChem CID779949
Molecular FormulaC18H21F2NO2
Molecular Weight321.37 g/mol
Exact Mass321.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(CCN(C)Cc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C18H21F2NO2/c1-21(12-14-5-6-15(19)11-16(14)20)9-8-13-4-7-17(22-2)18(10-13)23-3/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyTWJCDJXLJCCMEU-UHFFFAOYSA-N
XLogP3.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine (CID 779949) is N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine is COc1ccc(CCN(C)Cc2ccc(F)cc2F)cc1OC.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine?
The InChIKey is TWJCDJXLJCCMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO2/c1-21(12-14-5-6-15(19)11-16(14)20)9-8-13-4-7-17(22-2)18(10-13)23-3/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine?
N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine has a molecular weight of 321.37 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 779949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).