2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine

C16H25FN2O — CID 114831138

IUPAC2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
SMILESCC1(C)CN(C(C)(CN)Cc2ccccc2F)CCO1
InChIInChI=1S/C16H25FN2O/c1-15(2)12-19(8-9-20-15)16(3,11-18)10-13-6-4-5-7-14(13)17/h4-7H,8-12,18H2,1-3H3
InChIKeyIEGQPCUDMPTHTD-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.20
Rot. Bonds4

About 2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine

2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 114831138) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
PubChem CID114831138
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
SMILESCC1(C)CN(C(C)(CN)Cc2ccccc2F)CCO1
InChIInChI=1S/C16H25FN2O/c1-15(2)12-19(8-9-20-15)16(3,11-18)10-13-6-4-5-7-14(13)17/h4-7H,8-12,18H2,1-3H3
InChIKeyIEGQPCUDMPTHTD-UHFFFAOYSA-N
XLogP2.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831591
3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine
CID 114831349
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-(2-ethyl-5-methylpyrrolidin-1-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine
CID 114831676
2-(2,2-dimethylmorpholin-4-yl)-6-fluoroaniline
CID 60790067
2-(azetidin-1-yl)-3-(2-chlorophenyl)-2-methylpropan-1-amine
CID 84727871
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
2,2-dimethyl-4-(naphthalen-1-ylmethyl)morpholine
CID 55649204
[2-[(2,2-dimethylmorpholin-4-yl)methyl]phenyl]boronic acid
CID 54970678
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831451
2-(4,4-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-amine
CID 55150857

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine (CID 114831138) is 2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine is CC1(C)CN(C(C)(CN)Cc2ccccc2F)CCO1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is IEGQPCUDMPTHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-15(2)12-19(8-9-20-15)16(3,11-18)10-13-6-4-5-7-14(13)17/h4-7H,8-12,18H2,1-3H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine?
2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-3-(2-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114831138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).