4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine

C16H14N2O — CID 63691348

IUPAC4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine
SMILESCc1ccc(Oc2ccc(N)c3ccccc23)nc1
InChIInChI=1S/C16H14N2O/c1-11-6-9-16(18-10-11)19-15-8-7-14(17)12-4-2-3-5-13(12)15/h2-10H,17H2,1H3
InChIKeyDUPZBDNKTSRJPF-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.92
Rot. Bonds2

About 4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine

4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine (PubChem CID 63691348) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine.

Molecular Properties

Compound Name4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine
PubChem CID63691348
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine
SMILESCc1ccc(Oc2ccc(N)c3ccccc23)nc1
InChIInChI=1S/C16H14N2O/c1-11-6-9-16(18-10-11)19-15-8-7-14(17)12-4-2-3-5-13(12)15/h2-10H,17H2,1H3
InChIKeyDUPZBDNKTSRJPF-UHFFFAOYSA-N
XLogP3.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine?
The IUPAC name of 4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine (CID 63691348) is 4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine.
What is the SMILES notation for 4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine?
The canonical SMILES for 4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine is Cc1ccc(Oc2ccc(N)c3ccccc23)nc1.
What is the InChIKey of 4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine?
The InChIKey is DUPZBDNKTSRJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-6-9-16(18-10-11)19-15-8-7-14(17)12-4-2-3-5-13(12)15/h2-10H,17H2,1H3.
What are the key properties of 4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine?
4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine has a molecular weight of 250.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-pyridinyl)oxy]naphthalen-1-amine is sourced from PubChem (CID 63691348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).