1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine

C16H25FN2O — CID 115996756

IUPAC1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCNC(c1ccccc1F)C(C)CN1CCOCC1C
InChIInChI=1S/C16H25FN2O/c1-12(10-19-8-9-20-11-13(19)2)16(18-3)14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyUGUSWVSZSMLMAH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine

1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine (PubChem CID 115996756) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
PubChem CID115996756
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCNC(c1ccccc1F)C(C)CN1CCOCC1C
InChIInChI=1S/C16H25FN2O/c1-12(10-19-8-9-20-11-13(19)2)16(18-3)14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyUGUSWVSZSMLMAH-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine (CID 115996756) is 1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine is CNC(c1ccccc1F)C(C)CN1CCOCC1C.
What is the InChIKey of 1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
The InChIKey is UGUSWVSZSMLMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(10-19-8-9-20-11-13(19)2)16(18-3)14-6-4-5-7-15(14)17/h4-7,12-13,16,18H,8-11H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 115996756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).