ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine

C22H38N2O3 — CID 143797023

IUPACethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine
SMILESCC.CNC1CCOCC1.Cc1ccc(C(C)N2CCOCC2)cc1C=O
InChIInChI=1S/C14H19NO2.C6H13NO.C2H6/c1-11-3-4-13(9-14(11)10-16)12(2)15-5-7-17-8-6-15;1-7-6-2-4-8-5-3-6;1-2/h3-4,9-10,12H,5-8H2,1-2H3;6-7H,2-5H2,1H3;1-2H3
InChIKeyIPFXTGCNJFSFSM-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.61
Rot. Bonds4

About ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine

ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine (PubChem CID 143797023) has the molecular formula C22H38N2O3 and a molecular weight of 378.56 g/mol. Its IUPAC name is ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine.

Molecular Properties

Compound Nameethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine
PubChem CID143797023
Molecular FormulaC22H38N2O3
Molecular Weight378.56 g/mol
Exact Mass378.29
IUPAC Nameethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine
SMILESCC.CNC1CCOCC1.Cc1ccc(C(C)N2CCOCC2)cc1C=O
InChIInChI=1S/C14H19NO2.C6H13NO.C2H6/c1-11-3-4-13(9-14(11)10-16)12(2)15-5-7-17-8-6-15;1-7-6-2-4-8-5-3-6;1-2/h3-4,9-10,12H,5-8H2,1-2H3;6-7H,2-5H2,1H3;1-2H3
InChIKeyIPFXTGCNJFSFSM-UHFFFAOYSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine 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

2-(1-morpholin-4-ylethyl)benzaldehyde
CID 105474307
4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-2-methylbenzaldehyde
CID 2771261
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
2-methyl-5-(2-morpholin-4-ylethyl)benzaldehyde
CID 143796960
4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
2-fluoro-4-(1-morpholin-4-ylethyl)benzenesulfonyl chloride
CID 83271907
4-[1-(4-nitrophenyl)ethyl]morpholine
CID 13398803
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
5-(dimethoxymethyl)-2-methylbenzaldehyde
CID 115019768

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine?
The IUPAC name of ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine (CID 143797023) is ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine.
What is the SMILES notation for ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine?
The canonical SMILES for ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine is CC.CNC1CCOCC1.Cc1ccc(C(C)N2CCOCC2)cc1C=O.
What is the InChIKey of ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine?
The InChIKey is IPFXTGCNJFSFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C6H13NO.C2H6/c1-11-3-4-13(9-14(11)10-16)12(2)15-5-7-17-8-6-15;1-7-6-2-4-8-5-3-6;1-2/h3-4,9-10,12H,5-8H2,1-2H3;6-7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine?
ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine has a molecular weight of 378.56 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(1-morpholin-4-ylethyl)benzaldehyde;N-methyloxan-4-amine is sourced from PubChem (CID 143797023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).