N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

C₁₇H₂₁NO — CID 115615295

About N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 115615295) has the molecular formula C₁₇H₂₁NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

• Compound Name: N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
• PubChem CID: 115615295
• Molecular Formula: C₁₇H₂₁NO
• Molecular Weight: 255.36 g/mol
• Exact Mass: 255.16
• IUPAC Name: N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
• SMILES: CC1(C)CCC(NCc2ccoc2)c2ccccc21
• InChI: InChI=1S/C17H21NO/c1-17(2)9-7-16(14-5-3-4-6-15(14)17)18-11-13-8-10-19-12-13/h3-6,8,10,12,16,18H,7,9,11H2,1-2H3
• InChIKey: XCVNOQXHGJLPOL-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 25.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.36
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?

The IUPAC name of N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 115615295) is N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

What is the SMILES notation for N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?

The canonical SMILES for N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is CC1(C)CCC(NCc2ccoc2)c2ccccc21.

What is the InChIKey of N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?

The InChIKey is XCVNOQXHGJLPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(2)9-7-16(14-5-3-4-6-15(14)17)18-11-13-8-10-19-12-13/h3-6,8,10,12,16,18H,7,9,11H2,1-2H3.

What are the key properties of N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?

N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-3-ylmethyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115615295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 115615295 — identifiers, structure, computed properties (public domain)

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