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

C19H20BrNO2 — CID 174533787

IUPAC4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde
SMILESO=CC1C(Cc2cccc(Br)c2)OCCN1Cc1ccccc1
InChIInChI=1S/C19H20BrNO2/c20-17-8-4-7-16(11-17)12-19-18(14-22)21(9-10-23-19)13-15-5-2-1-3-6-15/h1-8,11,14,18-19H,9-10,12-13H2
InChIKeyVGPNVEOGEPQTFZ-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.46
Rot. Bonds5

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

4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde (PubChem CID 174533787) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde.

Molecular Properties

Compound Name4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde
PubChem CID174533787
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde
SMILESO=CC1C(Cc2cccc(Br)c2)OCCN1Cc1ccccc1
InChIInChI=1S/C19H20BrNO2/c20-17-8-4-7-16(11-17)12-19-18(14-22)21(9-10-23-19)13-15-5-2-1-3-6-15/h1-8,11,14,18-19H,9-10,12-13H2
InChIKeyVGPNVEOGEPQTFZ-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde?
The IUPAC name of 4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde (CID 174533787) is 4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde.
What is the SMILES notation for 4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde?
The canonical SMILES for 4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde is O=CC1C(Cc2cccc(Br)c2)OCCN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde?
The InChIKey is VGPNVEOGEPQTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c20-17-8-4-7-16(11-17)12-19-18(14-22)21(9-10-23-19)13-15-5-2-1-3-6-15/h1-8,11,14,18-19H,9-10,12-13H2.
What are the key properties of 4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde?
4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde has a molecular weight of 374.28 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(3-bromophenyl)methyl]morpholine-3-carbaldehyde is sourced from PubChem (CID 174533787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).