N-methoxy-1-naphthalen-1-ylmethanamine

C12H13NO — CID 15611168

IUPACN-methoxy-1-naphthalen-1-ylmethanamine
SMILESCONCc1cccc2ccccc12
InChIInChI=1S/C12H13NO/c1-14-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3
InChIKeyCYKGURXDPSQCPV-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.49
Rot. Bonds3

About N-methoxy-1-naphthalen-1-ylmethanamine

N-methoxy-1-naphthalen-1-ylmethanamine (PubChem CID 15611168) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is N-methoxy-1-naphthalen-1-ylmethanamine.

Molecular Properties

Compound NameN-methoxy-1-naphthalen-1-ylmethanamine
PubChem CID15611168
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC NameN-methoxy-1-naphthalen-1-ylmethanamine
SMILESCONCc1cccc2ccccc12
InChIInChI=1S/C12H13NO/c1-14-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3
InChIKeyCYKGURXDPSQCPV-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-naphthalen-1-ylmethanamine?
The IUPAC name of N-methoxy-1-naphthalen-1-ylmethanamine (CID 15611168) is N-methoxy-1-naphthalen-1-ylmethanamine.
What is the SMILES notation for N-methoxy-1-naphthalen-1-ylmethanamine?
The canonical SMILES for N-methoxy-1-naphthalen-1-ylmethanamine is CONCc1cccc2ccccc12.
What is the InChIKey of N-methoxy-1-naphthalen-1-ylmethanamine?
The InChIKey is CYKGURXDPSQCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8,13H,9H2,1H3.
What are the key properties of N-methoxy-1-naphthalen-1-ylmethanamine?
N-methoxy-1-naphthalen-1-ylmethanamine has a molecular weight of 187.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-naphthalen-1-ylmethanamine is sourced from PubChem (CID 15611168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).