1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol

C21H16N2O — CID 155033275

IUPAC1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
SMILESNc1ccc(/N=C/c2c(O)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H16N2O/c22-19-10-11-20(17-8-4-3-7-16(17)19)23-13-18-15-6-2-1-5-14(15)9-12-21(18)24/h1-13,24H,22H2/b23-13+
InChIKeyHWRUGZAXCOCERM-YDZHTSKRSA-N
MW312.37 g/mol
LogP5.03
Rot. Bonds2

About 1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol

1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol (PubChem CID 155033275) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
PubChem CID155033275
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol
SMILESNc1ccc(/N=C/c2c(O)ccc3ccccc23)c2ccccc12
InChIInChI=1S/C21H16N2O/c22-19-10-11-20(17-8-4-3-7-16(17)19)23-13-18-15-6-2-1-5-14(15)9-12-21(18)24/h1-13,24H,22H2/b23-13+
InChIKeyHWRUGZAXCOCERM-YDZHTSKRSA-N
XLogP5.03
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(1-aminoethenyl)phenyl]iminomethyl]naphthalen-2-ol
CID 163678536
1-[(5-bromo-2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 794050
1-[(2,3-dichlorophenyl)iminomethyl]naphthalen-2-ol
CID 690805
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
CID 136695197
1-[(Z)-(diphenylhydrazinylidene)methyl]naphthalen-2-ol
CID 136690442
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
CID 135595898
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]hexanediamide
CID 135616078

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol (CID 155033275) is 1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol is Nc1ccc(/N=C/c2c(O)ccc3ccccc23)c2ccccc12.
What is the InChIKey of 1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is HWRUGZAXCOCERM-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H16N2O/c22-19-10-11-20(17-8-4-3-7-16(17)19)23-13-18-15-6-2-1-5-14(15)9-12-21(18)24/h1-13,24H,22H2/b23-13+.
What are the key properties of 1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol?
1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 312.37 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminonaphthalen-1-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 155033275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).