(Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride

C14H20Cl2N2O — CID 6510002

IUPAC(Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride
SMILESC/C(=N/OCCN1CCCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-12(13-4-6-14(15)7-5-13)16-18-11-10-17-8-2-3-9-17;/h4-7H,2-3,8-11H2,1H3;1H/b16-12-;
InChIKeyCWUOSKQQWXVVST-PXJKFVASSA-N
MW303.23 g/mol
LogP3.60
Rot. Bonds5

About (Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride

(Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride (PubChem CID 6510002) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride
PubChem CID6510002
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name(Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride
SMILESC/C(=N/OCCN1CCCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-12(13-4-6-14(15)7-5-13)16-18-11-10-17-8-2-3-9-17;/h4-7H,2-3,8-11H2,1H3;1H/b16-12-;
InChIKeyCWUOSKQQWXVVST-PXJKFVASSA-N
XLogP3.60
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride?
The IUPAC name of (Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride (CID 6510002) is (Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride is C/C(=N/OCCN1CCCC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride?
The InChIKey is CWUOSKQQWXVVST-PXJKFVASSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-12(13-4-6-14(15)7-5-13)16-18-11-10-17-8-2-3-9-17;/h4-7H,2-3,8-11H2,1H3;1H/b16-12-;.
What are the key properties of (Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride?
(Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethoxy)ethanimine;hydrochloride is sourced from PubChem (CID 6510002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).