N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine

C13H19NO2 — CID 102653722

IUPACN-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1cc(C)oc1C
InChIInChI=1S/C13H19NO2/c1-4-14-13(12-6-5-7-15-12)11-8-9(2)16-10(11)3/h6,8,13-14H,4-5,7H2,1-3H3
InChIKeyDXRDGIOTPJHNLQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.85
Rot. Bonds4

About N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine

N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine (PubChem CID 102653722) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
PubChem CID102653722
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)c1cc(C)oc1C
InChIInChI=1S/C13H19NO2/c1-4-14-13(12-6-5-7-15-12)11-8-9(2)16-10(11)3/h6,8,13-14H,4-5,7H2,1-3H3
InChIKeyDXRDGIOTPJHNLQ-UHFFFAOYSA-N
XLogP2.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine 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-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 62079984
N-[2,3-dihydrofuran-5-yl-(2-iodo-3-methylphenyl)methyl]ethanamine
CID 114030284
N-[(2-tert-butylphenyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653731
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[2,3-dihydrofuran-5-yl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102652042
N-[3,4-dihydro-2H-pyran-6-yl-(5-methylfuran-2-yl)methyl]ethanamine
CID 102648838
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 104545659
N-[[2-bromo-5-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653732
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
N-[(2,5-dimethylfuran-3-yl)-(3-ethyltriazol-4-yl)methyl]ethanamine
CID 114213546
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine (CID 102653722) is N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine is CCNC(C1=CCCO1)c1cc(C)oc1C.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The InChIKey is DXRDGIOTPJHNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-14-13(12-6-5-7-15-12)11-8-9(2)16-10(11)3/h6,8,13-14H,4-5,7H2,1-3H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine?
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 102653722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).