1-(propan-2-yliminomethyl)naphthalen-2-ol

C14H15NO — CID 4779256

IUPAC1-(propan-2-yliminomethyl)naphthalen-2-ol
SMILESCC(C)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C14H15NO/c1-10(2)15-9-13-12-6-4-3-5-11(12)7-8-14(13)16/h3-10,16H,1-2H3/b15-9+
InChIKeyVUYOAPADCRWYPQ-OQLLNIDSSA-N
MW213.28 g/mol
LogP3.37
Rot. Bonds2

About 1-(propan-2-yliminomethyl)naphthalen-2-ol

1-(propan-2-yliminomethyl)naphthalen-2-ol (PubChem CID 4779256) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(propan-2-yliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(propan-2-yliminomethyl)naphthalen-2-ol
PubChem CID4779256
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(propan-2-yliminomethyl)naphthalen-2-ol
SMILESCC(C)/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C14H15NO/c1-10(2)15-9-13-12-6-4-3-5-11(12)7-8-14(13)16/h3-10,16H,1-2H3/b15-9+
InChIKeyVUYOAPADCRWYPQ-OQLLNIDSSA-N
XLogP3.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
1-[[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]naphthalen-2-ol
CID 136675821
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetic acid
CID 136680557
(2S)-3-hydroxy-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoic acid;methanol;oxovanadium
CID 135497072
1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]naphthalen-2-ol
CID 137225852
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-N'-phenylbutanehydrazide
CID 139178452
bis((2S,3S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methylpentanoic acid);oxo(oxovanadiooxy)vanadium
CID 135499712

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-yliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(propan-2-yliminomethyl)naphthalen-2-ol (CID 4779256) is 1-(propan-2-yliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(propan-2-yliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(propan-2-yliminomethyl)naphthalen-2-ol is CC(C)/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-(propan-2-yliminomethyl)naphthalen-2-ol?
The InChIKey is VUYOAPADCRWYPQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H15NO/c1-10(2)15-9-13-12-6-4-3-5-11(12)7-8-14(13)16/h3-10,16H,1-2H3/b15-9+.
What are the key properties of 1-(propan-2-yliminomethyl)naphthalen-2-ol?
1-(propan-2-yliminomethyl)naphthalen-2-ol has a molecular weight of 213.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-yliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 4779256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).