ethyl 2-naphthalen-2-ylethanimidate

C14H15NO — CID 12713953

IUPACethyl 2-naphthalen-2-ylethanimidate
SMILES[H]/N=C(/Cc1ccc2ccccc2c1)OCC
InChIInChI=1S/C14H15NO/c1-2-16-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,15H,2,10H2,1H3/b15-14-
InChIKeyCKEYDFOHSHJTHQ-PFONDFGASA-N
MW213.28 g/mol
LogP3.40
Rot. Bonds3

About ethyl 2-naphthalen-2-ylethanimidate

ethyl 2-naphthalen-2-ylethanimidate (PubChem CID 12713953) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-naphthalen-2-ylethanimidate.

Molecular Properties

Compound Nameethyl 2-naphthalen-2-ylethanimidate
PubChem CID12713953
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Nameethyl 2-naphthalen-2-ylethanimidate
SMILES[H]/N=C(/Cc1ccc2ccccc2c1)OCC
InChIInChI=1S/C14H15NO/c1-2-16-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,15H,2,10H2,1H3/b15-14-
InChIKeyCKEYDFOHSHJTHQ-PFONDFGASA-N
XLogP3.40
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl naphthalene-2-carboximidate hydrochloride
CID 86674302
Ethyl naphthalene-2-carboximidate
CID 13524333
1-(2-Methoxyethyl)naphthalene
CID 15635901
Ethyl naphthalene-1-carboximidate
CID 46318432
2-(4-Methoxybutyl)naphthalene
CID 54126591
3-Naphthalen-2-yloxetane
CID 130114038
2-Naphthylmethyl-2-oxazoline
CID 171115242
2-(1-Fluoro-2-methoxyethyl)naphthalene
CID 10352866
2-[2-(Fluoromethoxy)ethyl]naphthalene
CID 132050447
Ethyl 2-(4-tert-butyl-2,6-dimethylphenyl)ethanimidate
CID 10586589
Ethyl 2-(naphthalen-1-yl)ethanecarboximidate hydrochloride
CID 12317288
Ethyl 2-(3-methylphenyl)ethanecarboximidate hydrochloride
CID 46318434

Frequently Asked Questions

What is the IUPAC name of ethyl 2-naphthalen-2-ylethanimidate?
The IUPAC name of ethyl 2-naphthalen-2-ylethanimidate (CID 12713953) is ethyl 2-naphthalen-2-ylethanimidate.
What is the SMILES notation for ethyl 2-naphthalen-2-ylethanimidate?
The canonical SMILES for ethyl 2-naphthalen-2-ylethanimidate is [H]/N=C(/Cc1ccc2ccccc2c1)OCC.
What is the InChIKey of ethyl 2-naphthalen-2-ylethanimidate?
The InChIKey is CKEYDFOHSHJTHQ-PFONDFGASA-N. The full InChI is InChI=1S/C14H15NO/c1-2-16-14(15)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-9,15H,2,10H2,1H3/b15-14-.
What are the key properties of ethyl 2-naphthalen-2-ylethanimidate?
ethyl 2-naphthalen-2-ylethanimidate has a molecular weight of 213.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-naphthalen-2-ylethanimidate is sourced from PubChem (CID 12713953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).