[4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine

C14H21FN2O — CID 43544261

IUPAC[4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine
SMILESCC1CN(Cc2ccc(CN)cc2F)C(C)CO1
InChIInChI=1S/C14H21FN2O/c1-10-9-18-11(2)7-17(10)8-13-4-3-12(6-16)5-14(13)15/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyCHRNQXVVHZWRKL-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.89
Rot. Bonds3

About [4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine

[4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine (PubChem CID 43544261) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is [4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine
PubChem CID43544261
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name[4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine
SMILESCC1CN(Cc2ccc(CN)cc2F)C(C)CO1
InChIInChI=1S/C14H21FN2O/c1-10-9-18-11(2)7-17(10)8-13-4-3-12(6-16)5-14(13)15/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyCHRNQXVVHZWRKL-UHFFFAOYSA-N
XLogP1.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine?
The IUPAC name of [4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine (CID 43544261) is [4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine?
The canonical SMILES for [4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine is CC1CN(Cc2ccc(CN)cc2F)C(C)CO1.
What is the InChIKey of [4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine?
The InChIKey is CHRNQXVVHZWRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-9-18-11(2)7-17(10)8-13-4-3-12(6-16)5-14(13)15/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of [4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine?
[4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine has a molecular weight of 252.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethylmorpholin-4-yl)methyl]-3-fluorophenyl]methanamine is sourced from PubChem (CID 43544261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).