1-naphthalen-2-yl-N-phenylmethoxymethanamine

C18H17NO — CID 53308533

IUPAC1-naphthalen-2-yl-N-phenylmethoxymethanamine
SMILESc1ccc(CONCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H17NO/c1-2-6-15(7-3-1)14-20-19-13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2
InChIKeyGPPXQJFJUPLVJT-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.06
Rot. Bonds5

About 1-naphthalen-2-yl-N-phenylmethoxymethanamine

1-naphthalen-2-yl-N-phenylmethoxymethanamine (PubChem CID 53308533) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-phenylmethoxymethanamine
PubChem CID53308533
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-naphthalen-2-yl-N-phenylmethoxymethanamine
SMILESc1ccc(CONCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H17NO/c1-2-6-15(7-3-1)14-20-19-13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2
InChIKeyGPPXQJFJUPLVJT-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-phenylmethoxymethanamine?
The IUPAC name of 1-naphthalen-2-yl-N-phenylmethoxymethanamine (CID 53308533) is 1-naphthalen-2-yl-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-naphthalen-2-yl-N-phenylmethoxymethanamine?
The canonical SMILES for 1-naphthalen-2-yl-N-phenylmethoxymethanamine is c1ccc(CONCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-naphthalen-2-yl-N-phenylmethoxymethanamine?
The InChIKey is GPPXQJFJUPLVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-6-15(7-3-1)14-20-19-13-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19H,13-14H2.
What are the key properties of 1-naphthalen-2-yl-N-phenylmethoxymethanamine?
1-naphthalen-2-yl-N-phenylmethoxymethanamine has a molecular weight of 263.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-N-phenylmethoxymethanamine is sourced from PubChem (CID 53308533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).