N-naphthalen-1-yl-1-phenylmethanimine

C17H13N — CID 1201463

IUPACN-naphthalen-1-yl-1-phenylmethanimine
SMILESC(=N/c1cccc2ccccc12)\c1ccccc1
InChIInChI=1S/C17H13N/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13+
InChIKeyNQPYSYDZNCHIQY-QGOAFFKASA-N
MW231.30 g/mol
LogP4.59
Rot. Bonds2

About N-naphthalen-1-yl-1-phenylmethanimine

N-naphthalen-1-yl-1-phenylmethanimine (PubChem CID 1201463) has the molecular formula C17H13N and a molecular weight of 231.30 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-phenylmethanimine.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-phenylmethanimine
PubChem CID1201463
Molecular FormulaC17H13N
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC NameN-naphthalen-1-yl-1-phenylmethanimine
SMILESC(=N/c1cccc2ccccc12)\c1ccccc1
InChIInChI=1S/C17H13N/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13+
InChIKeyNQPYSYDZNCHIQY-QGOAFFKASA-N
XLogP4.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-phenylmethanimine?
The IUPAC name of N-naphthalen-1-yl-1-phenylmethanimine (CID 1201463) is N-naphthalen-1-yl-1-phenylmethanimine.
What is the SMILES notation for N-naphthalen-1-yl-1-phenylmethanimine?
The canonical SMILES for N-naphthalen-1-yl-1-phenylmethanimine is C(=N/c1cccc2ccccc12)\c1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-1-phenylmethanimine?
The InChIKey is NQPYSYDZNCHIQY-QGOAFFKASA-N. The full InChI is InChI=1S/C17H13N/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-13H/b18-13+.
What are the key properties of N-naphthalen-1-yl-1-phenylmethanimine?
N-naphthalen-1-yl-1-phenylmethanimine has a molecular weight of 231.30 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-phenylmethanimine is sourced from PubChem (CID 1201463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).