1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol

C23H20N2O — CID 137270230

IUPAC1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/CCNc1cccc2ccccc12
InChIInChI=1S/C23H20N2O/c26-23-13-12-18-7-1-3-9-19(18)21(23)16-24-14-15-25-22-11-5-8-17-6-2-4-10-20(17)22/h1-13,16,25-26H,14-15H2/b24-16+
InChIKeyNVAXRBFNWPLQNC-LFVJCYFKSA-N
MW340.43 g/mol
LogP5.23
Rot. Bonds5

About 1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol

1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol (PubChem CID 137270230) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol
PubChem CID137270230
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/CCNc1cccc2ccccc12
InChIInChI=1S/C23H20N2O/c26-23-13-12-18-7-1-3-9-19(18)21(23)16-24-14-15-25-22-11-5-8-17-6-2-4-10-20(17)22/h1-13,16,25-26H,14-15H2/b24-16+
InChIKeyNVAXRBFNWPLQNC-LFVJCYFKSA-N
XLogP5.23
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
1-[2-(2-methoxyphenoxy)ethyliminomethyl]naphthalen-2-ol
CID 135596070
N-(3-chloro-2-methylphenyl)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135758597
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
1-[(2-fluorophenyl)methyliminomethyl]naphthalen-2-ol
CID 135595992
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256

Frequently Asked Questions

What is the IUPAC name of 1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol (CID 137270230) is 1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/CCNc1cccc2ccccc12.
What is the InChIKey of 1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol?
The InChIKey is NVAXRBFNWPLQNC-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H20N2O/c26-23-13-12-18-7-1-3-9-19(18)21(23)16-24-14-15-25-22-11-5-8-17-6-2-4-10-20(17)22/h1-13,16,25-26H,14-15H2/b24-16+.
What are the key properties of 1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol?
1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol has a molecular weight of 340.43 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(naphthalen-1-ylamino)ethyliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 137270230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).