1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine

C17H21NO — CID 116869892

IUPAC1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine
SMILESCc1ccc2cc(C3(CC(C)N)COC3)ccc2c1
InChIInChI=1S/C17H21NO/c1-12-3-4-15-8-16(6-5-14(15)7-12)17(9-13(2)18)10-19-11-17/h3-8,13H,9-11,18H2,1-2H3
InChIKeyITGZHUXZWWNOFA-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.15
Rot. Bonds3

About 1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine

1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine (PubChem CID 116869892) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine
PubChem CID116869892
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine
SMILESCc1ccc2cc(C3(CC(C)N)COC3)ccc2c1
InChIInChI=1S/C17H21NO/c1-12-3-4-15-8-16(6-5-14(15)7-12)17(9-13(2)18)10-19-11-17/h3-8,13H,9-11,18H2,1-2H3
InChIKeyITGZHUXZWWNOFA-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine (CID 116869892) is 1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine is Cc1ccc2cc(C3(CC(C)N)COC3)ccc2c1.
What is the InChIKey of 1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine?
The InChIKey is ITGZHUXZWWNOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-3-4-15-8-16(6-5-14(15)7-12)17(9-13(2)18)10-19-11-17/h3-8,13H,9-11,18H2,1-2H3.
What are the key properties of 1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine?
1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116869892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).