N-methylaniline;naphthalen-1-ylmethanimine

C18H18N2 — CID 143565448

IUPACN-methylaniline;naphthalen-1-ylmethanimine
SMILESCNc1ccccc1.[H]/N=C/c1cccc2ccccc12
InChIInChI=1S/C11H9N.C7H9N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-8-7-5-3-2-4-6-7/h1-8,12H;2-6,8H,1H3/b12-8+;
InChIKeyQFAWYKSLFXFCNC-MXZHIVQLSA-N
MW262.36 g/mol
LogP4.57
Rot. Bonds2

About N-methylaniline;naphthalen-1-ylmethanimine

N-methylaniline;naphthalen-1-ylmethanimine (PubChem CID 143565448) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-methylaniline;naphthalen-1-ylmethanimine.

Molecular Properties

Compound NameN-methylaniline;naphthalen-1-ylmethanimine
PubChem CID143565448
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-methylaniline;naphthalen-1-ylmethanimine
SMILESCNc1ccccc1.[H]/N=C/c1cccc2ccccc12
InChIInChI=1S/C11H9N.C7H9N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-8-7-5-3-2-4-6-7/h1-8,12H;2-6,8H,1H3/b12-8+;
InChIKeyQFAWYKSLFXFCNC-MXZHIVQLSA-N
XLogP4.57
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylaniline;naphthalen-1-ylmethanimine?
The IUPAC name of N-methylaniline;naphthalen-1-ylmethanimine (CID 143565448) is N-methylaniline;naphthalen-1-ylmethanimine.
What is the SMILES notation for N-methylaniline;naphthalen-1-ylmethanimine?
The canonical SMILES for N-methylaniline;naphthalen-1-ylmethanimine is CNc1ccccc1.[H]/N=C/c1cccc2ccccc12.
What is the InChIKey of N-methylaniline;naphthalen-1-ylmethanimine?
The InChIKey is QFAWYKSLFXFCNC-MXZHIVQLSA-N. The full InChI is InChI=1S/C11H9N.C7H9N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;1-8-7-5-3-2-4-6-7/h1-8,12H;2-6,8H,1H3/b12-8+;.
What are the key properties of N-methylaniline;naphthalen-1-ylmethanimine?
N-methylaniline;naphthalen-1-ylmethanimine has a molecular weight of 262.36 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylaniline;naphthalen-1-ylmethanimine is sourced from PubChem (CID 143565448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).