2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol

C15H23NO — CID 114492544

IUPAC2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
SMILESCCC(C)(O)CNc1cccc2c1CCCC2
InChIInChI=1S/C15H23NO/c1-3-15(2,17)11-16-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10,16-17H,3-5,7,9,11H2,1-2H3
InChIKeyXFGUREOWCDQQFU-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.14
Rot. Bonds4

About 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol

2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol (PubChem CID 114492544) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
PubChem CID114492544
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol
SMILESCCC(C)(O)CNc1cccc2c1CCCC2
InChIInChI=1S/C15H23NO/c1-3-15(2,17)11-16-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10,16-17H,3-5,7,9,11H2,1-2H3
InChIKeyXFGUREOWCDQQFU-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol (CID 114492544) is 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol is CCC(C)(O)CNc1cccc2c1CCCC2.
What is the InChIKey of 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol?
The InChIKey is XFGUREOWCDQQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-15(2,17)11-16-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10,16-17H,3-5,7,9,11H2,1-2H3.
What are the key properties of 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol?
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ol is sourced from PubChem (CID 114492544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).