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

C18H28N2O — CID 79370121

IUPAC6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1N1CCCCCC1C
InChIInChI=1S/C18H28N2O/c1-13-7-5-4-6-10-20(13)17-11-14-8-9-15(21-3)12-16(14)18(17)19-2/h8-9,12-13,17-19H,4-7,10-11H2,1-3H3
InChIKeyFVOFODPFQAFNDS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.14
Rot. Bonds3

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

6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79370121) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79370121
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2cc(OC)ccc2CC1N1CCCCCC1C
InChIInChI=1S/C18H28N2O/c1-13-7-5-4-6-10-20(13)17-11-14-8-9-15(21-3)12-16(14)18(17)19-2/h8-9,12-13,17-19H,4-7,10-11H2,1-3H3
InChIKeyFVOFODPFQAFNDS-UHFFFAOYSA-N
XLogP3.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-methyl-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79376284
N-ethyl-6-methoxy-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79374745
6-methoxy-2-(4-methoxypiperidin-1-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79370088
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 104958462
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248788
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247673
2-imidazol-1-yl-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375259
2-(4,5-dimethylimidazol-1-yl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 79375752
6-methoxy-N-methyl-2-(1,2,4-triazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375175
N-ethyl-6-methoxy-2-(3-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79370488
6-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375507
2-N-(cyclopropylmethyl)-6-methoxy-1-N,2-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79376461

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine (CID 79370121) is 6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine is CNC1c2cc(OC)ccc2CC1N1CCCCCC1C.
What is the InChIKey of 6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FVOFODPFQAFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-7-5-4-6-10-20(13)17-11-14-8-9-15(21-3)12-16(14)18(17)19-2/h8-9,12-13,17-19H,4-7,10-11H2,1-3H3.
What are the key properties of 6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-2-(2-methylazepan-1-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79370121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).