1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol

C19H29ClN2O2 — CID 19744176

IUPAC1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CO/N=C1\CCCCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H29ClN2O2/c1-14(2)21-12-18(23)13-24-22-19-6-4-3-5-16(19)11-15-7-9-17(20)10-8-15/h7-10,14,16,18,21,23H,3-6,11-13H2,1-2H3/b22-19+
InChIKeyOQEGBSRYNZAYHQ-ZBJSNUHESA-N
MW352.91 g/mol
LogP3.80
Rot. Bonds8

About 1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol

1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 19744176) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID19744176
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CO/N=C1\CCCCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H29ClN2O2/c1-14(2)21-12-18(23)13-24-22-19-6-4-3-5-16(19)11-15-7-9-17(20)10-8-15/h7-10,14,16,18,21,23H,3-6,11-13H2,1-2H3/b22-19+
InChIKeyOQEGBSRYNZAYHQ-ZBJSNUHESA-N
XLogP3.80
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol (CID 19744176) is 1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CO/N=C1\CCCCC1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is OQEGBSRYNZAYHQ-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-14(2)21-12-18(23)13-24-22-19-6-4-3-5-16(19)11-15-7-9-17(20)10-8-15/h7-10,14,16,18,21,23H,3-6,11-13H2,1-2H3/b22-19+.
What are the key properties of 1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 352.91 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[2-[(4-chlorophenyl)methyl]cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 19744176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).