4-amino-1-methyl-8aH-naphthalen-1-ol

C11H13NO — CID 166956940

IUPAC4-amino-1-methyl-8aH-naphthalen-1-ol
SMILESCC1(O)C=CC(N)=C2C=CC=CC21
InChIInChI=1S/C11H13NO/c1-11(13)7-6-10(12)8-4-2-3-5-9(8)11/h2-7,9,13H,12H2,1H3
InChIKeyMNFBODWYZHHXDW-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.26
Rot. Bonds

About 4-amino-1-methyl-8aH-naphthalen-1-ol

4-amino-1-methyl-8aH-naphthalen-1-ol (PubChem CID 166956940) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-amino-1-methyl-8aH-naphthalen-1-ol.

Molecular Properties

Compound Name4-amino-1-methyl-8aH-naphthalen-1-ol
PubChem CID166956940
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-amino-1-methyl-8aH-naphthalen-1-ol
SMILESCC1(O)C=CC(N)=C2C=CC=CC21
InChIInChI=1S/C11H13NO/c1-11(13)7-6-10(12)8-4-2-3-5-9(8)11/h2-7,9,13H,12H2,1H3
InChIKeyMNFBODWYZHHXDW-UHFFFAOYSA-N
XLogP1.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-8aH-naphthalen-1-ol?
The IUPAC name of 4-amino-1-methyl-8aH-naphthalen-1-ol (CID 166956940) is 4-amino-1-methyl-8aH-naphthalen-1-ol.
What is the SMILES notation for 4-amino-1-methyl-8aH-naphthalen-1-ol?
The canonical SMILES for 4-amino-1-methyl-8aH-naphthalen-1-ol is CC1(O)C=CC(N)=C2C=CC=CC21.
What is the InChIKey of 4-amino-1-methyl-8aH-naphthalen-1-ol?
The InChIKey is MNFBODWYZHHXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(13)7-6-10(12)8-4-2-3-5-9(8)11/h2-7,9,13H,12H2,1H3.
What are the key properties of 4-amino-1-methyl-8aH-naphthalen-1-ol?
4-amino-1-methyl-8aH-naphthalen-1-ol has a molecular weight of 175.23 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-8aH-naphthalen-1-ol is sourced from PubChem (CID 166956940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).