2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine

C16H25FN2O — CID 62120808

IUPAC2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
SMILESCc1cc(C(CN)N2CC(C)OC(C)(C)C2)ccc1F
InChIInChI=1S/C16H25FN2O/c1-11-7-13(5-6-14(11)17)15(8-18)19-9-12(2)20-16(3,4)10-19/h5-7,12,15H,8-10,18H2,1-4H3
InChIKeyWOWCCPXSWMSFTI-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.63
Rot. Bonds3

About 2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine

2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine (PubChem CID 62120808) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
PubChem CID62120808
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
SMILESCc1cc(C(CN)N2CC(C)OC(C)(C)C2)ccc1F
InChIInChI=1S/C16H25FN2O/c1-11-7-13(5-6-14(11)17)15(8-18)19-9-12(2)20-16(3,4)10-19/h5-7,12,15H,8-10,18H2,1-4H3
InChIKeyWOWCCPXSWMSFTI-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 106817369
2-[3-(difluoromethyl)phenyl]-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 115526851
2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 83230609
2-(2,2-dimethylmorpholin-4-yl)-2-(4-fluoro-3-methylphenyl)ethanamine
CID 62121310
2-(3,4-difluorophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988466
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 102838938
2-(3,5-dimethylpiperidin-1-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 63645052
2-(2-chloro-6-methoxyphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 104816304
2-(2,6-dimethylmorpholin-4-yl)-2-naphthalen-2-ylethanamine
CID 16782210
2-(3,4-difluorophenyl)-2-(3-methylpyrrolidin-1-yl)ethanamine
CID 61225182
2-(4-bromo-3-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188495
2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 81145379

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine (CID 62120808) is 2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine is Cc1cc(C(CN)N2CC(C)OC(C)(C)C2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The InChIKey is WOWCCPXSWMSFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11-7-13(5-6-14(11)17)15(8-18)19-9-12(2)20-16(3,4)10-19/h5-7,12,15H,8-10,18H2,1-4H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 62120808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).