2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol

C13H19NO — CID 79128929

IUPAC2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCC(CN)C1(O)CCc2ccccc2C1
InChIInChI=1S/C13H19NO/c1-10(9-14)13(15)7-6-11-4-2-3-5-12(11)8-13/h2-5,10,15H,6-9,14H2,1H3
InChIKeyNZBBKJWJFZONDG-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.50
Rot. Bonds2

About 2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol

2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 79128929) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID79128929
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCC(CN)C1(O)CCc2ccccc2C1
InChIInChI=1S/C13H19NO/c1-10(9-14)13(15)7-6-11-4-2-3-5-12(11)8-13/h2-5,10,15H,6-9,14H2,1H3
InChIKeyNZBBKJWJFZONDG-UHFFFAOYSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol (CID 79128929) is 2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol is CC(CN)C1(O)CCc2ccccc2C1.
What is the InChIKey of 2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is NZBBKJWJFZONDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(9-14)13(15)7-6-11-4-2-3-5-12(11)8-13/h2-5,10,15H,6-9,14H2,1H3.
What are the key properties of 2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol?
2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 79128929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).