2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine

C18H30N2O — CID 79370663

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
SMILESCCC(CC)CN(CC)C1Cc2ccc(OC)cc2C1N
InChIInChI=1S/C18H30N2O/c1-5-13(6-2)12-20(7-3)17-10-14-8-9-15(21-4)11-16(14)18(17)19/h8-9,11,13,17-18H,5-7,10,12,19H2,1-4H3
InChIKeyLCPYINVKICGJRS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.38
Rot. Bonds7

About 2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine

2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 79370663) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID79370663
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
SMILESCCC(CC)CN(CC)C1Cc2ccc(OC)cc2C1N
InChIInChI=1S/C18H30N2O/c1-5-13(6-2)12-20(7-3)17-10-14-8-9-15(21-4)11-16(14)18(17)19/h8-9,11,13,17-18H,5-7,10,12,19H2,1-4H3
InChIKeyLCPYINVKICGJRS-UHFFFAOYSA-N
XLogP3.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79248139
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084
6-methoxy-2-N-(2-methoxyethyl)-2-N-propan-2-yl-2,3-dihydro-1H-indene-1,2-diamine
CID 82947826
2-N-(cyclobutylmethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 107398041
2-N-(2-ethoxyethyl)-2-N-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79235599
2-N-cyclohexyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374538
2-N-cyclopropyl-6-methoxy-2-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 79374817
6-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 79370662
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79375006
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine (CID 79370663) is 2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine is CCC(CC)CN(CC)C1Cc2ccc(OC)cc2C1N.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is LCPYINVKICGJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-13(6-2)12-20(7-3)17-10-14-8-9-15(21-4)11-16(14)18(17)19/h8-9,11,13,17-18H,5-7,10,12,19H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 79370663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).