methyl 2-naphthalen-1-ylethanimidate;hydrochloride

C13H14ClNO — CID 19863964

IUPACmethyl 2-naphthalen-1-ylethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1cccc2ccccc12)OC
InChIInChI=1S/C13H13NO.ClH/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-8,14H,9H2,1H3;1H/b14-13-;
InChIKeyRSYOTRUZXIAUSS-HPWRNOGASA-N
MW235.71 g/mol
LogP3.43
Rot. Bonds2

About methyl 2-naphthalen-1-ylethanimidate;hydrochloride

methyl 2-naphthalen-1-ylethanimidate;hydrochloride (PubChem CID 19863964) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is methyl 2-naphthalen-1-ylethanimidate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-naphthalen-1-ylethanimidate;hydrochloride
PubChem CID19863964
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Namemethyl 2-naphthalen-1-ylethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1cccc2ccccc12)OC
InChIInChI=1S/C13H13NO.ClH/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-8,14H,9H2,1H3;1H/b14-13-;
InChIKeyRSYOTRUZXIAUSS-HPWRNOGASA-N
XLogP3.43
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.43
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

methyl 2-(7-methoxynaphthalen-1-yl)ethanimidate
CID 115506313
methyl 2-(2-bromophenyl)ethanimidate
CID 62830195
2-naphthalen-1-yl-1-pyridin-1-ium-1-ylethanimine
CID 91259755
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
(Z)-4-methyl-5-naphthalen-1-ylpent-3-en-2-one
CID 102021850
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
CID 872172
azane;1-ethylnaphthalene
CID 19048185
sodium;1-ethylnaphthalene;hydride
CID 174300793
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 106108050

Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-1-ylethanimidate;hydrochloride?
The IUPAC name of methyl 2-naphthalen-1-ylethanimidate;hydrochloride (CID 19863964) is methyl 2-naphthalen-1-ylethanimidate;hydrochloride.
What is the SMILES notation for methyl 2-naphthalen-1-ylethanimidate;hydrochloride?
The canonical SMILES for methyl 2-naphthalen-1-ylethanimidate;hydrochloride is Cl.[H]/N=C(/Cc1cccc2ccccc12)OC.
What is the InChIKey of methyl 2-naphthalen-1-ylethanimidate;hydrochloride?
The InChIKey is RSYOTRUZXIAUSS-HPWRNOGASA-N. The full InChI is InChI=1S/C13H13NO.ClH/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-8,14H,9H2,1H3;1H/b14-13-;.
What are the key properties of methyl 2-naphthalen-1-ylethanimidate;hydrochloride?
methyl 2-naphthalen-1-ylethanimidate;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-naphthalen-1-ylethanimidate;hydrochloride is sourced from PubChem (CID 19863964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).