N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine

C20H19N — CID 139964728

IUPACN-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine
SMILESCc1ccc(C/N=C/Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19N/c1-16-6-8-18(9-7-16)15-21-13-12-17-10-11-19-4-2-3-5-20(19)14-17/h2-11,13-14H,12,15H2,1H3/b21-13+
InChIKeyXKPODXSSIHBJBF-FYJGNVAPSA-N
MW273.38 g/mol
LogP4.96
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine

N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine (PubChem CID 139964728) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine
PubChem CID139964728
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine
SMILESCc1ccc(C/N=C/Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H19N/c1-16-6-8-18(9-7-16)15-21-13-12-17-10-11-19-4-2-3-5-20(19)14-17/h2-11,13-14H,12,15H2,1H3/b21-13+
InChIKeyXKPODXSSIHBJBF-FYJGNVAPSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.96
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-benzyl-2-naphthalen-2-ylethanimine
CID 139964644
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
3-benzylimino-1-naphthalen-2-ylpropan-1-one
CID 91463586
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
benzene;2-methylnaphthalene
CID 159438891
2-methylnaphthalene chloride
CID 21193556
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-methylnaphthalene;dihydrate
CID 174912803
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
ethane;2-ethylnaphthalene
CID 90684887
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
N-[[4-(4-methylphenoxy)phenyl]methyl]ethanimine
CID 163930392

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine (CID 139964728) is N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine is Cc1ccc(C/N=C/Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine?
The InChIKey is XKPODXSSIHBJBF-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19N/c1-16-6-8-18(9-7-16)15-21-13-12-17-10-11-19-4-2-3-5-20(19)14-17/h2-11,13-14H,12,15H2,1H3/b21-13+.
What are the key properties of N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine?
N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine has a molecular weight of 273.38 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-naphthalen-2-ylethanimine is sourced from PubChem (CID 139964728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).