ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate

C14H20ClNO3 — CID 169061013

IUPACethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate
SMILESCCO/C(C)=N/OCc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-5-17-11(4)16-18-9-12-6-7-14(13(15)8-12)19-10(2)3/h6-8,10H,5,9H2,1-4H3/b16-11+
InChIKeyJUORLXWADACDCM-LFIBNONCSA-N
MW285.77 g/mol
LogP4.01
Rot. Bonds6

About ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate

ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate (PubChem CID 169061013) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate.

Molecular Properties

Compound Nameethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate
PubChem CID169061013
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nameethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate
SMILESCCO/C(C)=N/OCc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-5-17-11(4)16-18-9-12-6-7-14(13(15)8-12)19-10(2)3/h6-8,10H,5,9H2,1-4H3/b16-11+
InChIKeyJUORLXWADACDCM-LFIBNONCSA-N
XLogP4.01
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
2-[2-(3-chloro-4-propan-2-yloxyphenyl)ethyl]-1-(diaminomethylidene)guanidine
CID 2896331
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
(2S)-N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990395
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
(2S)-1-[(3-chloro-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996926
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate
CID 105426760
2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 110190887
[(3-chloro-4-propan-2-yloxyphenyl)methyl-diethylazaniumyl]methanethioate
CID 22753785
N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
CID 95474116
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate
CID 105426766
ethyl 2-[4-(2-aminopropyl)-2-chlorophenoxy]butanoate
CID 64662197

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate?
The IUPAC name of ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate (CID 169061013) is ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate.
What is the SMILES notation for ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate?
The canonical SMILES for ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate is CCO/C(C)=N/OCc1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate?
The InChIKey is JUORLXWADACDCM-LFIBNONCSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-5-17-11(4)16-18-9-12-6-7-14(13(15)8-12)19-10(2)3/h6-8,10H,5,9H2,1-4H3/b16-11+.
What are the key properties of ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate?
ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate has a molecular weight of 285.77 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-[(3-chloro-4-propan-2-yloxyphenyl)methoxy]ethanimidate is sourced from PubChem (CID 169061013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).