2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C18H29NO2 — CID 115420046

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC(C)N(CCOC)C1CC(C)c2ccccc2C1O
InChIInChI=1S/C18H29NO2/c1-5-14(3)19(10-11-21-4)17-12-13(2)15-8-6-7-9-16(15)18(17)20/h6-9,13-14,17-18,20H,5,10-12H2,1-4H3
InChIKeyLPTZVPVTBJQIIO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.34
Rot. Bonds6

About 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115420046) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115420046
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC(C)N(CCOC)C1CC(C)c2ccccc2C1O
InChIInChI=1S/C18H29NO2/c1-5-14(3)19(10-11-21-4)17-12-13(2)15-8-6-7-9-16(15)18(17)20/h6-9,13-14,17-18,20H,5,10-12H2,1-4H3
InChIKeyLPTZVPVTBJQIIO-UHFFFAOYSA-N
XLogP3.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115420046) is 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CCC(C)N(CCOC)C1CC(C)c2ccccc2C1O.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is LPTZVPVTBJQIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-14(3)19(10-11-21-4)17-12-13(2)15-8-6-7-9-16(15)18(17)20/h6-9,13-14,17-18,20H,5,10-12H2,1-4H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115420046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).