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

C15H23FN2O — CID 62644652

IUPAC1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCNC(CCN1CCOCC1C)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-12-11-19-10-9-18(12)8-7-15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyGQBWWTJQCOOLTL-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.20
Rot. Bonds5

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

1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine (PubChem CID 62644652) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine
PubChem CID62644652
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine
SMILESCNC(CCN1CCOCC1C)c1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-12-11-19-10-9-18(12)8-7-15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyGQBWWTJQCOOLTL-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 115996756
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62644958
1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62629586
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 62619030
1-(2-fluorophenyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
CID 103538884
2-(2-fluorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541859
1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62619080
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62643785
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 62628763
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-2-one
CID 43796410

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine (CID 62644652) is 1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine is CNC(CCN1CCOCC1C)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
The InChIKey is GQBWWTJQCOOLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12-11-19-10-9-18(12)8-7-15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine?
1-(2-fluorophenyl)-N-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine has a molecular weight of 266.36 g/mol, XLogP of 2.20, 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-methyl-3-(3-methylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 62644652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).