6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine

C18H28N2O — CID 79370662

IUPAC6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCOc1ccc2c(c1)C(N)C(N(C)C1CCC(C)CC1)C2
InChIInChI=1S/C18H28N2O/c1-12-4-7-14(8-5-12)20(2)17-10-13-6-9-15(21-3)11-16(13)18(17)19/h6,9,11-12,14,17-18H,4-5,7-8,10,19H2,1-3H3
InChIKeyHGGASWRQESRCTG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.13
Rot. Bonds3

About 6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine

6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 79370662) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID79370662
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine
SMILESCOc1ccc2c(c1)C(N)C(N(C)C1CCC(C)CC1)C2
InChIInChI=1S/C18H28N2O/c1-12-4-7-14(8-5-12)20(2)17-10-13-6-9-15(21-3)11-16(13)18(17)19/h6,9,11-12,14,17-18H,4-5,7-8,10,19H2,1-3H3
InChIKeyHGGASWRQESRCTG-UHFFFAOYSA-N
XLogP3.13
TPSA38.49 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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of 6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine (CID 79370662) is 6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for 6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for 6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine is COc1ccc2c(c1)C(N)C(N(C)C1CCC(C)CC1)C2.
What is the InChIKey of 6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is HGGASWRQESRCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12-4-7-14(8-5-12)20(2)17-10-13-6-9-15(21-3)11-16(13)18(17)19/h6,9,11-12,14,17-18H,4-5,7-8,10,19H2,1-3H3.
What are the key properties of 6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine?
6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 79370662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).