2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline

C15H23FN2O — CID 64533093

IUPAC2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
SMILESCc1ccc(NCC2CN(C(C)C)CCO2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(2)18-6-7-19-13(10-18)9-17-15-5-4-12(3)8-14(15)16/h4-5,8,11,13,17H,6-7,9-10H2,1-3H3
InChIKeyWFRKXRHMCKVLSU-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.66
Rot. Bonds4

About 2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline

2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline (PubChem CID 64533093) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
PubChem CID64533093
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
SMILESCc1ccc(NCC2CN(C(C)C)CCO2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-11(2)18-6-7-19-13(10-18)9-17-15-5-4-12(3)8-14(15)16/h4-5,8,11,13,17H,6-7,9-10H2,1-3H3
InChIKeyWFRKXRHMCKVLSU-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline (CID 64533093) is 2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline is Cc1ccc(NCC2CN(C(C)C)CCO2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
The InChIKey is WFRKXRHMCKVLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)18-6-7-19-13(10-18)9-17-15-5-4-12(3)8-14(15)16/h4-5,8,11,13,17H,6-7,9-10H2,1-3H3.
What are the key properties of 2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline?
2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline has a molecular weight of 266.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 64533093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).