N-benzyl-2-naphthalen-2-ylethanimine

C19H17N — CID 139964644

IUPACN-benzyl-2-naphthalen-2-ylethanimine
SMILESC(\Cc1ccc2ccccc2c1)=N/Cc1ccccc1
InChIInChI=1S/C19H17N/c1-2-6-17(7-3-1)15-20-13-12-16-10-11-18-8-4-5-9-19(18)14-16/h1-11,13-14H,12,15H2/b20-13+
InChIKeyQOQXZDPXJYDMHS-DEDYPNTBSA-N
MW259.35 g/mol
LogP4.65
Rot. Bonds4

About N-benzyl-2-naphthalen-2-ylethanimine

N-benzyl-2-naphthalen-2-ylethanimine (PubChem CID 139964644) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is N-benzyl-2-naphthalen-2-ylethanimine.

Molecular Properties

Compound NameN-benzyl-2-naphthalen-2-ylethanimine
PubChem CID139964644
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC NameN-benzyl-2-naphthalen-2-ylethanimine
SMILESC(\Cc1ccc2ccccc2c1)=N/Cc1ccccc1
InChIInChI=1S/C19H17N/c1-2-6-17(7-3-1)15-20-13-12-16-10-11-18-8-4-5-9-19(18)14-16/h1-11,13-14H,12,15H2/b20-13+
InChIKeyQOQXZDPXJYDMHS-DEDYPNTBSA-N
XLogP4.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine
CID 139964728
N-benzyl-2-(4-methoxyphenyl)ethanimine
CID 71336415
3-benzylimino-1-naphthalen-2-ylpropan-1-one
CID 91463586
2-benzylnaphthalene
CID 11948
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
(E)-4-naphthalen-2-ylbut-2-enoic acid
CID 11789094
N-methyl-N-(naphthalen-2-ylmethyl)-1-phenylmethanamine
CID 44767910
(E)-N-benzyl-4-phenylbut-3-en-1-imine
CID 101087207
N-benzyl-1-naphthalen-2-ylethanimine
CID 2731696
ethane;2-ethylnaphthalene
CID 90684887
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-naphthalen-2-ylethanimine?
The IUPAC name of N-benzyl-2-naphthalen-2-ylethanimine (CID 139964644) is N-benzyl-2-naphthalen-2-ylethanimine.
What is the SMILES notation for N-benzyl-2-naphthalen-2-ylethanimine?
The canonical SMILES for N-benzyl-2-naphthalen-2-ylethanimine is C(\Cc1ccc2ccccc2c1)=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-2-naphthalen-2-ylethanimine?
The InChIKey is QOQXZDPXJYDMHS-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17N/c1-2-6-17(7-3-1)15-20-13-12-16-10-11-18-8-4-5-9-19(18)14-16/h1-11,13-14H,12,15H2/b20-13+.
What are the key properties of N-benzyl-2-naphthalen-2-ylethanimine?
N-benzyl-2-naphthalen-2-ylethanimine has a molecular weight of 259.35 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-naphthalen-2-ylethanimine is sourced from PubChem (CID 139964644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).