N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine

C23H29F2NO — CID 18435011

IUPACN-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)CN(C)CC(COCc1c(F)cccc1F)c1c(C)cccc1C
InChIInChI=1S/C23H29F2NO/c1-16(2)12-26(5)13-19(23-17(3)8-6-9-18(23)4)14-27-15-20-21(24)10-7-11-22(20)25/h6-11,19H,1,12-15H2,2-5H3
InChIKeyXZPLEKPZZSDTLD-UHFFFAOYSA-N
MW373.49 g/mol
LogP5.39
Rot. Bonds9

About N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine

N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine (PubChem CID 18435011) has the molecular formula C23H29F2NO and a molecular weight of 373.49 g/mol. Its IUPAC name is N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine
PubChem CID18435011
Molecular FormulaC23H29F2NO
Molecular Weight373.49 g/mol
Exact Mass373.22
IUPAC NameN-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)CN(C)CC(COCc1c(F)cccc1F)c1c(C)cccc1C
InChIInChI=1S/C23H29F2NO/c1-16(2)12-26(5)13-19(23-17(3)8-6-9-18(23)4)14-27-15-20-21(24)10-7-11-22(20)25/h6-11,19H,1,12-15H2,2-5H3
InChIKeyXZPLEKPZZSDTLD-UHFFFAOYSA-N
XLogP5.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.49
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine (CID 18435011) is N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine is C=C(C)CN(C)CC(COCc1c(F)cccc1F)c1c(C)cccc1C.
What is the InChIKey of N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine?
The InChIKey is XZPLEKPZZSDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2NO/c1-16(2)12-26(5)13-19(23-17(3)8-6-9-18(23)4)14-27-15-20-21(24)10-7-11-22(20)25/h6-11,19H,1,12-15H2,2-5H3.
What are the key properties of N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine?
N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine has a molecular weight of 373.49 g/mol, XLogP of 5.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-difluorophenyl)methoxy]-2-(2,6-dimethylphenyl)propyl]-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 18435011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).