N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine

C14H26N2O2 — CID 63008490

IUPACN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCCNCc1cc(CN(C)CCCOC)oc1C
InChIInChI=1S/C14H26N2O2/c1-5-15-10-13-9-14(18-12(13)2)11-16(3)7-6-8-17-4/h9,15H,5-8,10-11H2,1-4H3
InChIKeyCDZJVXWIFHVORB-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.17
Rot. Bonds9

About N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine

N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine (PubChem CID 63008490) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine
PubChem CID63008490
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine
SMILESCCNCc1cc(CN(C)CCCOC)oc1C
InChIInChI=1S/C14H26N2O2/c1-5-15-10-13-9-14(18-12(13)2)11-16(3)7-6-8-17-4/h9,15H,5-8,10-11H2,1-4H3
InChIKeyCDZJVXWIFHVORB-UHFFFAOYSA-N
XLogP2.17
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-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-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 63008846
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
2-ethoxy-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylethanamine
CID 81068757
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63007768
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340457
N-[[2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 62419219
N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55140120
N-[[5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62411119
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 103406053
N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 81068577
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62435770
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine (CID 63008490) is N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine is CCNCc1cc(CN(C)CCCOC)oc1C.
What is the InChIKey of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
The InChIKey is CDZJVXWIFHVORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-15-10-13-9-14(18-12(13)2)11-16(3)7-6-8-17-4/h9,15H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine?
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine has a molecular weight of 254.37 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 63008490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).