(3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

C13H17FN2O3 — CID 102931410

IUPAC(3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(N)cc(F)c2)CC(CO)O1
InChIInChI=1S/C13H17FN2O3/c1-8-5-16(6-12(7-17)19-8)13(18)9-2-10(14)4-11(15)3-9/h2-4,8,12,17H,5-7,15H2,1H3
InChIKeyNUVKTFJYKYHJEY-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.63
Rot. Bonds2

About (3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone

(3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 102931410) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is (3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
PubChem CID102931410
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name(3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2cc(N)cc(F)c2)CC(CO)O1
InChIInChI=1S/C13H17FN2O3/c1-8-5-16(6-12(7-17)19-8)13(18)9-2-10(14)4-11(15)3-9/h2-4,8,12,17H,5-7,15H2,1H3
InChIKeyNUVKTFJYKYHJEY-UHFFFAOYSA-N
XLogP0.63
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
(3-amino-2,5-difluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 107121539
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 103296942
(2-amino-6-chloro-4-pyridinyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102936186
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102937402
(3-amino-5-fluorophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530093
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931481
(4-tert-butylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934330
[4-(chloromethyl)phenyl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932344
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 102932983
(3-hydroxy-4-iodophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102978661
(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931441

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone (CID 102931410) is (3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2cc(N)cc(F)c2)CC(CO)O1.
What is the InChIKey of (3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is NUVKTFJYKYHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8-5-16(6-12(7-17)19-8)13(18)9-2-10(14)4-11(15)3-9/h2-4,8,12,17H,5-7,15H2,1H3.
What are the key properties of (3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone?
(3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 268.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 102931410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).