(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine

C20H22FNO2 — CID 29001171

IUPAC(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine
SMILESFc1ccc(C[C@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)cc1
InChIInChI=1S/C20H22FNO2/c21-18-4-1-15(2-5-18)12-19-14-22(8-10-23-19)13-16-3-6-20-17(11-16)7-9-24-20/h1-6,11,19H,7-10,12-14H2/t19-/m0/s1
InChIKeyFPGITSKMRLMPBO-IBGZPJMESA-N
MW327.40 g/mol
LogP3.20
Rot. Bonds4

About (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine

(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine (PubChem CID 29001171) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine
PubChem CID29001171
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine
SMILESFc1ccc(C[C@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)cc1
InChIInChI=1S/C20H22FNO2/c21-18-4-1-15(2-5-18)12-19-14-22(8-10-23-19)13-16-3-6-20-17(11-16)7-9-24-20/h1-6,11,19H,7-10,12-14H2/t19-/m0/s1
InChIKeyFPGITSKMRLMPBO-IBGZPJMESA-N
XLogP3.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-phenylmorpholine
CID 131900950
1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone
CID 29023713
2-[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanol
CID 95563200
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124966375
5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran
CID 104545326
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9126457
2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine
CID 45209393
5-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazole
CID 144923098
3-(N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]-4-fluoroanilino)propanamide
CID 55471071
N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240821
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid
CID 66433927

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine?
The IUPAC name of (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine (CID 29001171) is (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine.
What is the SMILES notation for (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine?
The canonical SMILES for (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine is Fc1ccc(C[C@H]2CN(Cc3ccc4c(c3)CCO4)CCO2)cc1.
What is the InChIKey of (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine?
The InChIKey is FPGITSKMRLMPBO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22FNO2/c21-18-4-1-15(2-5-18)12-19-14-22(8-10-23-19)13-16-3-6-20-17(11-16)7-9-24-20/h1-6,11,19H,7-10,12-14H2/t19-/m0/s1.
What are the key properties of (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine?
(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine has a molecular weight of 327.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 29001171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).