3-chloro-2-[(Z)-methoxyiminomethyl]aniline

C8H9ClN2O — CID 59916365

IUPAC3-chloro-2-[(Z)-methoxyiminomethyl]aniline
SMILESCO/N=C\c1c(N)cccc1Cl
InChIInChI=1S/C8H9ClN2O/c1-12-11-5-6-7(9)3-2-4-8(6)10/h2-5H,10H2,1H3/b11-5-
InChIKeyLTNMAUHGYFIPHW-WZUFQYTHSA-N
MW184.63 g/mol
LogP1.90
Rot. Bonds2

About 3-chloro-2-[(Z)-methoxyiminomethyl]aniline

3-chloro-2-[(Z)-methoxyiminomethyl]aniline (PubChem CID 59916365) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 3-chloro-2-[(Z)-methoxyiminomethyl]aniline.

Molecular Properties

Compound Name3-chloro-2-[(Z)-methoxyiminomethyl]aniline
PubChem CID59916365
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name3-chloro-2-[(Z)-methoxyiminomethyl]aniline
SMILESCO/N=C\c1c(N)cccc1Cl
InChIInChI=1S/C8H9ClN2O/c1-12-11-5-6-7(9)3-2-4-8(6)10/h2-5H,10H2,1H3/b11-5-
InChIKeyLTNMAUHGYFIPHW-WZUFQYTHSA-N
XLogP1.90
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(Z)-methoxyiminomethyl]aniline?
The IUPAC name of 3-chloro-2-[(Z)-methoxyiminomethyl]aniline (CID 59916365) is 3-chloro-2-[(Z)-methoxyiminomethyl]aniline.
What is the SMILES notation for 3-chloro-2-[(Z)-methoxyiminomethyl]aniline?
The canonical SMILES for 3-chloro-2-[(Z)-methoxyiminomethyl]aniline is CO/N=C\c1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-[(Z)-methoxyiminomethyl]aniline?
The InChIKey is LTNMAUHGYFIPHW-WZUFQYTHSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-12-11-5-6-7(9)3-2-4-8(6)10/h2-5H,10H2,1H3/b11-5-.
What are the key properties of 3-chloro-2-[(Z)-methoxyiminomethyl]aniline?
3-chloro-2-[(Z)-methoxyiminomethyl]aniline has a molecular weight of 184.63 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(Z)-methoxyiminomethyl]aniline is sourced from PubChem (CID 59916365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).