2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline

C18H23FN2O2 — CID 46229671

IUPAC2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline
SMILESCc1ccc(Oc2cc(OCCF)ccc2CN(C)C)c(N)c1
InChIInChI=1S/C18H23FN2O2/c1-13-4-7-17(16(20)10-13)23-18-11-15(22-9-8-19)6-5-14(18)12-21(2)3/h4-7,10-11H,8-9,12,20H2,1-3H3
InChIKeyICYDUOWTRYFBOY-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.78
Rot. Bonds7

About 2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline

2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline (PubChem CID 46229671) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline
PubChem CID46229671
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline
SMILESCc1ccc(Oc2cc(OCCF)ccc2CN(C)C)c(N)c1
InChIInChI=1S/C18H23FN2O2/c1-13-4-7-17(16(20)10-13)23-18-11-15(22-9-8-19)6-5-14(18)12-21(2)3/h4-7,10-11H,8-9,12,20H2,1-3H3
InChIKeyICYDUOWTRYFBOY-UHFFFAOYSA-N
XLogP3.78
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline (CID 46229671) is 2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline is Cc1ccc(Oc2cc(OCCF)ccc2CN(C)C)c(N)c1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline?
The InChIKey is ICYDUOWTRYFBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-13-4-7-17(16(20)10-13)23-18-11-15(22-9-8-19)6-5-14(18)12-21(2)3/h4-7,10-11H,8-9,12,20H2,1-3H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline?
2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline has a molecular weight of 318.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-5-(2-fluoroethoxy)phenoxy]-5-methylaniline is sourced from PubChem (CID 46229671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).