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

C16H21N3O — CID 107683402

IUPACN-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCCn3ccnc3C)ccc21
InChIInChI=1S/C16H21N3O/c1-12-18-7-8-19(12)9-10-20-14-4-5-15-13(11-14)3-6-16(15)17-2/h4-5,7-8,11,16-17H,3,6,9-10H2,1-2H3
InChIKeyMQDCHEZZFAGFND-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.48
Rot. Bonds5

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

N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683402) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID107683402
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCCn3ccnc3C)ccc21
InChIInChI=1S/C16H21N3O/c1-12-18-7-8-19(12)9-10-20-14-4-5-15-13(11-14)3-6-16(15)17-2/h4-5,7-8,11,16-17H,3,6,9-10H2,1-2H3
InChIKeyMQDCHEZZFAGFND-UHFFFAOYSA-N
XLogP2.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683725
N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63094974
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910
1-[2-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]ethyl]imidazolidin-2-one
CID 107683575
N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114527195
N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683376
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butan-2-ol
CID 107683344
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683326
N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683464
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine (CID 107683402) is N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(OCCn3ccnc3C)ccc21.
What is the InChIKey of N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MQDCHEZZFAGFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-18-7-8-19(12)9-10-20-14-4-5-15-13(11-14)3-6-16(15)17-2/h4-5,7-8,11,16-17H,3,6,9-10H2,1-2H3.
What are the key properties of N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine?
N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).