2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C16H21N3O — CID 79375752

IUPAC2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1n1cnc(C)c1C
InChIInChI=1S/C16H21N3O/c1-10-11(2)19(9-18-10)15-7-12-5-6-13(20-4)8-14(12)16(15)17-3/h5-6,8-9,15-17H,7H2,1-4H3
InChIKeyCAKOOACEKINUFY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.57
Rot. Bonds3

About 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79375752) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79375752
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1n1cnc(C)c1C
InChIInChI=1S/C16H21N3O/c1-10-11(2)19(9-18-10)15-7-12-5-6-13(20-4)8-14(12)16(15)17-3/h5-6,8-9,15-17H,7H2,1-4H3
InChIKeyCAKOOACEKINUFY-UHFFFAOYSA-N
XLogP2.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375259
6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375175
6-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375507
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 104958462
6-methoxy-2-(4-methoxypiperidin-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79370088
6-methoxy-N-methyl-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79376284
6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370121
7-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248528
6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 79370352
6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
CID 79370320
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461
3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79375512

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 79375752) is 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1c2cc(OC)ccc2CC1n1cnc(C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CAKOOACEKINUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-11(2)19(9-18-10)15-7-12-5-6-13(20-4)8-14(12)16(15)17-3/h5-6,8-9,15-17H,7H2,1-4H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79375752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).