2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine

C20H21FN2O — CID 45209393

IUPAC2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine
SMILESFc1ccc(CC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1
InChIInChI=1S/C20H21FN2O/c21-17-7-5-15(6-8-17)11-18-14-23(9-10-24-18)13-16-12-22-20-4-2-1-3-19(16)20/h1-8,12,18,22H,9-11,13-14H2
InChIKeyXOYRYFCHOIUBAX-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.75
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine

2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine (PubChem CID 45209393) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine
PubChem CID45209393
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine
SMILESFc1ccc(CC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1
InChIInChI=1S/C20H21FN2O/c21-17-7-5-15(6-8-17)11-18-14-23(9-10-24-18)13-16-12-22-20-4-2-1-3-19(16)20/h1-8,12,18,22H,9-11,13-14H2
InChIKeyXOYRYFCHOIUBAX-UHFFFAOYSA-N
XLogP3.75
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1H-indol-3-ylmethyl)morpholin-2-yl]ethanamine
CID 115314840
(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124966375
2-[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanol
CID 95563200
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 35053989
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
[4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine
CID 114397775
(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine
CID 29001171
1-[3-[[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]phenyl]ethanone
CID 29023713
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171
(2R)-2-acetamido-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(1H-indol-3-yl)propanamide
CID 39472754
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine (CID 45209393) is 2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine is Fc1ccc(CC2CN(Cc3c[nH]c4ccccc34)CCO2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine?
The InChIKey is XOYRYFCHOIUBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-17-7-5-15(6-8-17)11-18-14-23(9-10-24-18)13-16-12-22-20-4-2-1-3-19(16)20/h1-8,12,18,22H,9-11,13-14H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine?
2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine has a molecular weight of 324.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine is sourced from PubChem (CID 45209393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).