[2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol

C18H22FN3O2 — CID 44592216

IUPAC[2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol
SMILESCc1cc(F)ccc1NCc1cc(CO)cc(N2CCOCC2)n1
InChIInChI=1S/C18H22FN3O2/c1-13-8-15(19)2-3-17(13)20-11-16-9-14(12-23)10-18(21-16)22-4-6-24-7-5-22/h2-3,8-10,20,23H,4-7,11-12H2,1H3
InChIKeyDICSMMHORCCJBW-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.47
Rot. Bonds5

About [2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol

[2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol (PubChem CID 44592216) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol
PubChem CID44592216
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol
SMILESCc1cc(F)ccc1NCc1cc(CO)cc(N2CCOCC2)n1
InChIInChI=1S/C18H22FN3O2/c1-13-8-15(19)2-3-17(13)20-11-16-9-14(12-23)10-18(21-16)22-4-6-24-7-5-22/h2-3,8-10,20,23H,4-7,11-12H2,1H3
InChIKeyDICSMMHORCCJBW-UHFFFAOYSA-N
XLogP2.47
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol?
The IUPAC name of [2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol (CID 44592216) is [2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol.
What is the SMILES notation for [2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol?
The canonical SMILES for [2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol is Cc1cc(F)ccc1NCc1cc(CO)cc(N2CCOCC2)n1.
What is the InChIKey of [2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol?
The InChIKey is DICSMMHORCCJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-13-8-15(19)2-3-17(13)20-11-16-9-14(12-23)10-18(21-16)22-4-6-24-7-5-22/h2-3,8-10,20,23H,4-7,11-12H2,1H3.
What are the key properties of [2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol?
[2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol has a molecular weight of 331.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluoro-2-methylanilino)methyl]-6-morpholin-4-yl-4-pyridinyl]methanol is sourced from PubChem (CID 44592216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).