(E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine

C10H12ClNO2 — CID 135075756

IUPAC(E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1c(Cl)cccc1OC
InChIInChI=1S/C10H12ClNO2/c1-7(12-14-3)10-8(11)5-4-6-9(10)13-2/h4-6H,1-3H3/b12-7+
InChIKeyXSVMTTWPSNFAKH-KPKJPENVSA-N
MW213.66 g/mol
LogP2.72
Rot. Bonds3

About (E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine

(E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine (PubChem CID 135075756) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine
PubChem CID135075756
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1c(Cl)cccc1OC
InChIInChI=1S/C10H12ClNO2/c1-7(12-14-3)10-8(11)5-4-6-9(10)13-2/h4-6H,1-3H3/b12-7+
InChIKeyXSVMTTWPSNFAKH-KPKJPENVSA-N
XLogP2.72
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride
CID 106892085
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
2-chloro-6-fluoro-N'-methoxybenzenecarboximidamide
CID 82469758
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
1-chloro-2-methoxybenzene
CID 13011
N-methoxy-1-(8-methoxyquinolin-2-yl)ethanimine
CID 139838410
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114
1-(2-chloro-6-methoxyphenyl)-2,2-difluoropropan-1-one
CID 131187635
CID 159993809
CID 159993809
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
2-chloro-6-methoxybenzenethiol
CID 91874124

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine?
The IUPAC name of (E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine (CID 135075756) is (E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine.
What is the SMILES notation for (E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine?
The canonical SMILES for (E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine is CO/N=C(\C)c1c(Cl)cccc1OC.
What is the InChIKey of (E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine?
The InChIKey is XSVMTTWPSNFAKH-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7(12-14-3)10-8(11)5-4-6-9(10)13-2/h4-6H,1-3H3/b12-7+.
What are the key properties of (E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine?
(E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine has a molecular weight of 213.66 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chloro-6-methoxyphenyl)-N-methoxyethanimine is sourced from PubChem (CID 135075756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).