N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine

C16H26N2O2 — CID 84754536

IUPACN-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine
SMILESCCCCNCc1ccc(N2CCOCC2)c(OC)c1
InChIInChI=1S/C16H26N2O2/c1-3-4-7-17-13-14-5-6-15(16(12-14)19-2)18-8-10-20-11-9-18/h5-6,12,17H,3-4,7-11,13H2,1-2H3
InChIKeyZJPKWEHEMCOPKT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds7

About N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine

N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine (PubChem CID 84754536) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine
PubChem CID84754536
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine
SMILESCCCCNCc1ccc(N2CCOCC2)c(OC)c1
InChIInChI=1S/C16H26N2O2/c1-3-4-7-17-13-14-5-6-15(16(12-14)19-2)18-8-10-20-11-9-18/h5-6,12,17H,3-4,7-11,13H2,1-2H3
InChIKeyZJPKWEHEMCOPKT-UHFFFAOYSA-N
XLogP2.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-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

N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88931619
1-[4-[(3-hydroxypropylamino)methyl]-2-methoxyphenyl]piperidin-4-ol
CID 84754739
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
N-[(3-ethoxy-4-morpholin-4-ylphenyl)methyl]-2-methylpropan-1-amine
CID 84749500
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 84753782
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 106787055
N-[(3,4-dimethoxyphenyl)methyl]heptan-1-amine;hydrochloride
CID 17291147
N-[(3-ethoxy-4-piperidin-1-ylphenyl)methyl]-2-methoxyethanamine
CID 84749663
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 4715809

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine?
The IUPAC name of N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine (CID 84754536) is N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine is CCCCNCc1ccc(N2CCOCC2)c(OC)c1.
What is the InChIKey of N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine?
The InChIKey is ZJPKWEHEMCOPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-7-17-13-14-5-6-15(16(12-14)19-2)18-8-10-20-11-9-18/h5-6,12,17H,3-4,7-11,13H2,1-2H3.
What are the key properties of N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine?
N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 84754536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).