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

C20H22FNO2 — CID 174547766

IUPAC4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde
SMILESCc1cc(CC2OCCN(Cc3ccccc3)C2C=O)ccc1F
InChIInChI=1S/C20H22FNO2/c1-15-11-17(7-8-18(15)21)12-20-19(14-23)22(9-10-24-20)13-16-5-3-2-4-6-16/h2-8,11,14,19-20H,9-10,12-13H2,1H3
InChIKeyAYWVRNNLHQBNPH-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.15
Rot. Bonds5

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

4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde (PubChem CID 174547766) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde.

Molecular Properties

Compound Name4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde
PubChem CID174547766
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde
SMILESCc1cc(CC2OCCN(Cc3ccccc3)C2C=O)ccc1F
InChIInChI=1S/C20H22FNO2/c1-15-11-17(7-8-18(15)21)12-20-19(14-23)22(9-10-24-20)13-16-5-3-2-4-6-16/h2-8,11,14,19-20H,9-10,12-13H2,1H3
InChIKeyAYWVRNNLHQBNPH-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde
CID 174533787
2-(2-hydroxypropyl)-4-(2-phenylethyl)morpholine-3-carbaldehyde
CID 174773332
4-[(4-fluoro-3-methylphenyl)methyl]morpholine-2-carboxylic acid
CID 65067073
1-benzyl-3-methylpiperidine-2-carbaldehyde
CID 100994967
[(2S,3R)-4-[(3,4-dimethylphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134702161
(2S,3S)-4-benzyl-3-(4-fluorophenyl)-2-methylmorpholine
CID 59896106
(2S,3S)-4-benzyl-2,3-dimethylmorpholine
CID 118558682
3-benzyl-6-[(4-fluoro-3-methylphenyl)methylsulfonyl]-4H-1,3-benzoxazin-2-one
CID 157385642
4-benzyl-2-(methoxymethyl)-6-methylmorpholine-3-carbaldehyde
CID 174649053
2-hydroxy-4-(2-phenylethyl)morpholine-3-carbaldehyde
CID 175270830
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
4-benzyl-3-methylmorpholin-2-amine
CID 154296445

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde?
The IUPAC name of 4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde (CID 174547766) is 4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde.
What is the SMILES notation for 4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde?
The canonical SMILES for 4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde is Cc1cc(CC2OCCN(Cc3ccccc3)C2C=O)ccc1F.
What is the InChIKey of 4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde?
The InChIKey is AYWVRNNLHQBNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-15-11-17(7-8-18(15)21)12-20-19(14-23)22(9-10-24-20)13-16-5-3-2-4-6-16/h2-8,11,14,19-20H,9-10,12-13H2,1H3.
What are the key properties of 4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde?
4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde has a molecular weight of 327.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(4-fluoro-3-methylphenyl)methyl]morpholine-3-carbaldehyde is sourced from PubChem (CID 174547766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).