[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine

C14H20F2N2O — CID 115529030

IUPAC[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
SMILESCCN1CCOC(CN)C1c1cccc(C(F)F)c1
InChIInChI=1S/C14H20F2N2O/c1-2-18-6-7-19-12(9-17)13(18)10-4-3-5-11(8-10)14(15)16/h3-5,8,12-14H,2,6-7,9,17H2,1H3
InChIKeySHWIMNJIMSDVBU-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.34
Rot. Bonds4

About [3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine

[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine (PubChem CID 115529030) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is [3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
PubChem CID115529030
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
SMILESCCN1CCOC(CN)C1c1cccc(C(F)F)c1
InChIInChI=1S/C14H20F2N2O/c1-2-18-6-7-19-12(9-17)13(18)10-4-3-5-11(8-10)14(15)16/h3-5,8,12-14H,2,6-7,9,17H2,1H3
InChIKeySHWIMNJIMSDVBU-UHFFFAOYSA-N
XLogP2.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
CID 113329185
[3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine
CID 81159150
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
N-[[2-[3-(difluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 115528974
2-[3-(difluoromethyl)phenyl]oxolan-3-amine
CID 115530352
N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide
CID 128977205
2-[3-(difluoromethyl)phenyl]-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 115528867
[3-(4-cyclopropylphenyl)-4-propan-2-ylmorpholin-2-yl]methanamine
CID 79978573
2-[3-(difluoromethyl)phenyl]-4-ethyl-1,3-thiazolidine
CID 115528350
1-[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]-N-methylmethanamine
CID 113329497
N-[[2-[3-(difluoromethyl)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 115530338
[4-propan-2-yl-3-(1-propylpyrazol-4-yl)morpholin-2-yl]methanamine
CID 103573225

Frequently Asked Questions

What is the IUPAC name of [3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine?
The IUPAC name of [3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine (CID 115529030) is [3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine.
What is the SMILES notation for [3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine?
The canonical SMILES for [3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine is CCN1CCOC(CN)C1c1cccc(C(F)F)c1.
What is the InChIKey of [3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine?
The InChIKey is SHWIMNJIMSDVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-2-18-6-7-19-12(9-17)13(18)10-4-3-5-11(8-10)14(15)16/h3-5,8,12-14H,2,6-7,9,17H2,1H3.
What are the key properties of [3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine?
[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine has a molecular weight of 270.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine is sourced from PubChem (CID 115529030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).