2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

C14H17N3O — CID 79375259

IUPAC2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1n1ccnc1
InChIInChI=1S/C14H17N3O/c1-15-14-12-8-11(18-2)4-3-10(12)7-13(14)17-6-5-16-9-17/h3-6,8-9,13-15H,7H2,1-2H3
InChIKeyRASQFYLHDKOKBS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.95
Rot. Bonds3

About 2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 79375259) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID79375259
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1n1ccnc1
InChIInChI=1S/C14H17N3O/c1-15-14-12-8-11(18-2)4-3-10(12)7-13(14)17-6-5-16-9-17/h3-6,8-9,13-15H,7H2,1-2H3
InChIKeyRASQFYLHDKOKBS-UHFFFAOYSA-N
XLogP1.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375175
2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375752
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 104958462
6-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375507
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
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-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370121
6-methoxy-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 79370352
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461
7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
6-methoxy-N-methyl-2-(3-methylphenoxy)-2,3-dihydro-1H-inden-1-amine
CID 79370320

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 79375259) is 2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1c2cc(OC)ccc2CC1n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RASQFYLHDKOKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-15-14-12-8-11(18-2)4-3-10(12)7-13(14)17-6-5-16-9-17/h3-6,8-9,13-15H,7H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 243.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79375259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).