1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

C₁₂H₁₇NO — CID 115419502

About 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol

1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 115419502) has the molecular formula C₁₂H₁₇NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

• Compound Name: 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
• PubChem CID: 115419502
• Molecular Formula: C₁₂H₁₇NO
• Molecular Weight: 191.27 g/mol
• Exact Mass: 191.13
• IUPAC Name: 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
• SMILES: CC1CCC(O)(CN)c2ccccc21
• InChI: InChI=1S/C12H17NO/c1-9-6-7-12(14,8-13)11-5-3-2-4-10(9)11/h2-5,9,14H,6-8,13H2,1H3
• InChIKey: REDLTQDLOWCACY-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	191.27
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?

The IUPAC name of 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol (CID 115419502) is 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol.

What is the SMILES notation for 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?

The canonical SMILES for 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is CC1CCC(O)(CN)c2ccccc21.

What is the InChIKey of 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?

The InChIKey is REDLTQDLOWCACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-7-12(14,8-13)11-5-3-2-4-10(9)11/h2-5,9,14H,6-8,13H2,1H3.

What are the key properties of 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol?

1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 191.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 115419502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115419502 — identifiers, structure, computed properties (public domain)

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