1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine

C20H19NO — CID 10637187

IUPAC1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
SMILESCOc1ccccc1/C=N/[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C20H19NO/c1-15(21-14-17-9-4-6-13-20(17)22-2)18-12-7-10-16-8-3-5-11-19(16)18/h3-15H,1-2H3/b21-14+/t15-/m1/s1
InChIKeyMMAWRWUMKOYNMA-HFITWMCCSA-N
MW289.38 g/mol
LogP5.03
Rot. Bonds4

About 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine

1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine (PubChem CID 10637187) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
PubChem CID10637187
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
SMILESCOc1ccccc1/C=N/[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C20H19NO/c1-15(21-14-17-9-4-6-13-20(17)22-2)18-12-7-10-16-8-3-5-11-19(16)18/h3-15H,1-2H3/b21-14+/t15-/m1/s1
InChIKeyMMAWRWUMKOYNMA-HFITWMCCSA-N
XLogP5.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
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 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine (CID 10637187) is 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine is COc1ccccc1/C=N/[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine?
The InChIKey is MMAWRWUMKOYNMA-HFITWMCCSA-N. The full InChI is InChI=1S/C20H19NO/c1-15(21-14-17-9-4-6-13-20(17)22-2)18-12-7-10-16-8-3-5-11-19(16)18/h3-15H,1-2H3/b21-14+/t15-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine?
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine has a molecular weight of 289.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine is sourced from PubChem (CID 10637187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).