N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine

C17H23N3O — CID 107683725

IUPACN-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2cc(OCCn3ccnc3C)ccc21
InChIInChI=1S/C17H23N3O/c1-3-18-17-7-4-14-12-15(5-6-16(14)17)21-11-10-20-9-8-19-13(20)2/h5-6,8-9,12,17-18H,3-4,7,10-11H2,1-2H3
InChIKeyFJYHNBXNMPELBG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.87
Rot. Bonds6

About N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine

N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683725) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID107683725
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2cc(OCCn3ccnc3C)ccc21
InChIInChI=1S/C17H23N3O/c1-3-18-17-7-4-14-12-15(5-6-16(14)17)21-11-10-20-9-8-19-13(20)2/h5-6,8-9,12,17-18H,3-4,7,10-11H2,1-2H3
InChIKeyFJYHNBXNMPELBG-UHFFFAOYSA-N
XLogP2.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683402
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910
5-[2-(diethylamino)ethoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683747
N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63094974
N-ethyl-5-pent-4-ynoxy-2,3-dihydro-1H-inden-1-amine
CID 107683662
N-cyclopropyl-3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanamide
CID 107683586
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683611
N-ethyl-5-[(2-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683619
1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
CID 107683826
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683654
3-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenol
CID 107683685

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine (CID 107683725) is N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine is CCNC1CCc2cc(OCCn3ccnc3C)ccc21.
What is the InChIKey of N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FJYHNBXNMPELBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-18-17-7-4-14-12-15(5-6-16(14)17)21-11-10-20-9-8-19-13(20)2/h5-6,8-9,12,17-18H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).