4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine

C19H22FNO — CID 67073026

IUPAC4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
SMILESCc1cccc(CC2CN(Cc3ccccc3)CCO2)c1F
InChIInChI=1S/C19H22FNO/c1-15-6-5-9-17(19(15)20)12-18-14-21(10-11-22-18)13-16-7-3-2-4-8-16/h2-9,18H,10-14H2,1H3
InChIKeyCHLIHIHJUNFMPI-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.58
Rot. Bonds4

About 4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine

4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine (PubChem CID 67073026) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
PubChem CID67073026
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
SMILESCc1cccc(CC2CN(Cc3ccccc3)CCO2)c1F
InChIInChI=1S/C19H22FNO/c1-15-6-5-9-17(19(15)20)12-18-14-21(10-11-22-18)13-16-7-3-2-4-8-16/h2-9,18H,10-14H2,1H3
InChIKeyCHLIHIHJUNFMPI-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-benzylmorpholin-2-yl)methyl]isoindole-1,3-dione
CID 23200080
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113113
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70161855
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
(2R)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70159870
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine?
The IUPAC name of 4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine (CID 67073026) is 4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine.
What is the SMILES notation for 4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine?
The canonical SMILES for 4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine is Cc1cccc(CC2CN(Cc3ccccc3)CCO2)c1F.
What is the InChIKey of 4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine?
The InChIKey is CHLIHIHJUNFMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-15-6-5-9-17(19(15)20)12-18-14-21(10-11-22-18)13-16-7-3-2-4-8-16/h2-9,18H,10-14H2,1H3.
What are the key properties of 4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine?
4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine has a molecular weight of 299.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine is sourced from PubChem (CID 67073026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).