[4-(2-chloroethoxy)phenyl]methylidenehydrazine

C9H11ClN2O — CID 168529045

IUPAC[4-(2-chloroethoxy)phenyl]methylidenehydrazine
SMILESNN=Cc1ccc(OCCCl)cc1
InChIInChI=1S/C9H11ClN2O/c10-5-6-13-9-3-1-8(2-4-9)7-12-11/h1-4,7H,5-6,11H2
InChIKeyNUPWGBIXPXZSKC-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.60
Rot. Bonds4

About [4-(2-chloroethoxy)phenyl]methylidenehydrazine

[4-(2-chloroethoxy)phenyl]methylidenehydrazine (PubChem CID 168529045) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is [4-(2-chloroethoxy)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[4-(2-chloroethoxy)phenyl]methylidenehydrazine
PubChem CID168529045
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name[4-(2-chloroethoxy)phenyl]methylidenehydrazine
SMILESNN=Cc1ccc(OCCCl)cc1
InChIInChI=1S/C9H11ClN2O/c10-5-6-13-9-3-1-8(2-4-9)7-12-11/h1-4,7H,5-6,11H2
InChIKeyNUPWGBIXPXZSKC-UHFFFAOYSA-N
XLogP1.60
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
bis[4-(2-chloroethoxy)phenyl]iodanium
CID 20582192
methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate
CID 168531338
1-(2-chloroethoxy)-4-(2-methylprop-1-enyl)benzene
CID 151179000
1,4-bis(3-chloropropoxy)benzene
CID 20523958
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
[4-(naphthalen-2-ylmethoxy)phenyl]methylidenehydrazine
CID 168530218
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide
CID 142639027
3-chloro-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-di(propan-2-yl)benzamide
CID 67744746
(E)-1,3-bis[4-(2-chloroethoxy)phenyl]prop-2-en-1-one
CID 6053420
4-(2-chloroethoxy)benzonitrile
CID 12503864
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroethoxy)phenyl]methylidenehydrazine?
The IUPAC name of [4-(2-chloroethoxy)phenyl]methylidenehydrazine (CID 168529045) is [4-(2-chloroethoxy)phenyl]methylidenehydrazine.
What is the SMILES notation for [4-(2-chloroethoxy)phenyl]methylidenehydrazine?
The canonical SMILES for [4-(2-chloroethoxy)phenyl]methylidenehydrazine is NN=Cc1ccc(OCCCl)cc1.
What is the InChIKey of [4-(2-chloroethoxy)phenyl]methylidenehydrazine?
The InChIKey is NUPWGBIXPXZSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-5-6-13-9-3-1-8(2-4-9)7-12-11/h1-4,7H,5-6,11H2.
What are the key properties of [4-(2-chloroethoxy)phenyl]methylidenehydrazine?
[4-(2-chloroethoxy)phenyl]methylidenehydrazine has a molecular weight of 198.65 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroethoxy)phenyl]methylidenehydrazine is sourced from PubChem (CID 168529045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).