2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

C17H28N2O — CID 79248139

IUPAC2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCN(CC(C)C)C1CCc2ccc(OC)cc2C1N
InChIInChI=1S/C17H28N2O/c1-5-19(11-12(2)3)16-9-7-13-6-8-14(20-4)10-15(13)17(16)18/h6,8,10,12,16-17H,5,7,9,11,18H2,1-4H3
InChIKeyGRXHJLCJQOMEOT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.99
Rot. Bonds5

About 2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine

2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine (PubChem CID 79248139) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
PubChem CID79248139
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
SMILESCCN(CC(C)C)C1CCc2ccc(OC)cc2C1N
InChIInChI=1S/C17H28N2O/c1-5-19(11-12(2)3)16-9-7-13-6-8-14(20-4)10-15(13)17(16)18/h6,8,10,12,16-17H,5,7,9,11,18H2,1-4H3
InChIKeyGRXHJLCJQOMEOT-UHFFFAOYSA-N
XLogP2.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
CID 79370663
2-[ethyl(2-methylpropyl)amino]-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 79374084
7-methoxy-2-(4-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247909
7-methoxy-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247767
6-methoxy-2-N-propan-2-yl-2-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43269499
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
7-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763288
7-methoxy-1-N,1-N-dipropyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 70468404
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 79367822

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The IUPAC name of 2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine (CID 79248139) is 2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine is CCN(CC(C)C)C1CCc2ccc(OC)cc2C1N.
What is the InChIKey of 2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
The InChIKey is GRXHJLCJQOMEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-19(11-12(2)3)16-9-7-13-6-8-14(20-4)10-15(13)17(16)18/h6,8,10,12,16-17H,5,7,9,11,18H2,1-4H3.
What are the key properties of 2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine?
2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-7-methoxy-2-N-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine is sourced from PubChem (CID 79248139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).