N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine

C12H16ClN3O — CID 106689411

IUPACN-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1nccn1CC
InChIInChI=1S/C12H16ClN3O/c1-3-14-10(9-5-8-17-11(9)13)12-15-6-7-16(12)4-2/h5-8,10,14H,3-4H2,1-2H3
InChIKeyBYIRMWZGEGRWMN-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.85
Rot. Bonds5

About N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine

N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine (PubChem CID 106689411) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
PubChem CID106689411
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1nccn1CC
InChIInChI=1S/C12H16ClN3O/c1-3-14-10(9-5-8-17-11(9)13)12-15-6-7-16(12)4-2/h5-8,10,14H,3-4H2,1-2H3
InChIKeyBYIRMWZGEGRWMN-UHFFFAOYSA-N
XLogP2.85
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-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-[(2,4-dichlorophenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 54980096
N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106692062
N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 106855833
N-[(2-chlorofuran-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106693494
[1-(2-chlorofuran-3-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 106694577
N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 106692004
(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine
CID 106689402
N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 106691892
1-(4-chlorophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 61316350
4-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149884
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917
N-[(1-ethylimidazol-2-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 104672104

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine (CID 106689411) is N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine is CCNC(c1ccoc1Cl)c1nccn1CC.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
The InChIKey is BYIRMWZGEGRWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-3-14-10(9-5-8-17-11(9)13)12-15-6-7-16(12)4-2/h5-8,10,14H,3-4H2,1-2H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine?
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine has a molecular weight of 253.73 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 106689411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).