2-amino-2-(4-morpholin-4-ylphenyl)butanal

C14H20N2O2 — CID 87089967

IUPAC2-amino-2-(4-morpholin-4-ylphenyl)butanal
SMILESCCC(N)(C=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-14(15,11-17)12-3-5-13(6-4-12)16-7-9-18-10-8-16/h3-6,11H,2,7-10,15H2,1H3
InChIKeyHCZPIDGCXDQHPY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.29
Rot. Bonds4

About 2-amino-2-(4-morpholin-4-ylphenyl)butanal

2-amino-2-(4-morpholin-4-ylphenyl)butanal (PubChem CID 87089967) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-2-(4-morpholin-4-ylphenyl)butanal.

Molecular Properties

Compound Name2-amino-2-(4-morpholin-4-ylphenyl)butanal
PubChem CID87089967
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-2-(4-morpholin-4-ylphenyl)butanal
SMILESCCC(N)(C=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-2-14(15,11-17)12-3-5-13(6-4-12)16-7-9-18-10-8-16/h3-6,11H,2,7-10,15H2,1H3
InChIKeyHCZPIDGCXDQHPY-UHFFFAOYSA-N
XLogP1.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylphenyl)morpholine
CID 20576442
2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal
CID 87090040
ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate
CID 142202810
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
2-methyl-1-(4-methylsulfanylphenyl)-2-(4-morpholin-4-ylphenyl)butan-1-one
CID 161153433
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
2-(3-morpholin-4-ylphenyl)propan-2-amine
CID 96607858

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-morpholin-4-ylphenyl)butanal?
The IUPAC name of 2-amino-2-(4-morpholin-4-ylphenyl)butanal (CID 87089967) is 2-amino-2-(4-morpholin-4-ylphenyl)butanal.
What is the SMILES notation for 2-amino-2-(4-morpholin-4-ylphenyl)butanal?
The canonical SMILES for 2-amino-2-(4-morpholin-4-ylphenyl)butanal is CCC(N)(C=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-amino-2-(4-morpholin-4-ylphenyl)butanal?
The InChIKey is HCZPIDGCXDQHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-14(15,11-17)12-3-5-13(6-4-12)16-7-9-18-10-8-16/h3-6,11H,2,7-10,15H2,1H3.
What are the key properties of 2-amino-2-(4-morpholin-4-ylphenyl)butanal?
2-amino-2-(4-morpholin-4-ylphenyl)butanal has a molecular weight of 248.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-morpholin-4-ylphenyl)butanal is sourced from PubChem (CID 87089967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).