2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine

C14H20F2N2O — CID 55235608

IUPAC2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine
SMILESCC1(C)CN(c2c(F)cc(CCN)cc2F)CCO1
InChIInChI=1S/C14H20F2N2O/c1-14(2)9-18(5-6-19-14)13-11(15)7-10(3-4-17)8-12(13)16/h7-8H,3-6,9,17H2,1-2H3
InChIKeyNFNNSNDNGPFAKI-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.08
Rot. Bonds3

About 2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine

2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine (PubChem CID 55235608) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine
PubChem CID55235608
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine
SMILESCC1(C)CN(c2c(F)cc(CCN)cc2F)CCO1
InChIInChI=1S/C14H20F2N2O/c1-14(2)9-18(5-6-19-14)13-11(15)7-10(3-4-17)8-12(13)16/h7-8H,3-6,9,17H2,1-2H3
InChIKeyNFNNSNDNGPFAKI-UHFFFAOYSA-N
XLogP2.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine (CID 55235608) is 2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine is CC1(C)CN(c2c(F)cc(CCN)cc2F)CCO1.
What is the InChIKey of 2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine?
The InChIKey is NFNNSNDNGPFAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-14(2)9-18(5-6-19-14)13-11(15)7-10(3-4-17)8-12(13)16/h7-8H,3-6,9,17H2,1-2H3.
What are the key properties of 2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine?
2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine has a molecular weight of 270.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylmorpholin-4-yl)-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 55235608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).