N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline

C17H18N2O2 — CID 169382596

IUPACN-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccccc1C1OCCCO1
InChIInChI=1S/C17H18N2O2/c1-2-8-15(9-3-1)19-18-13-14-7-4-5-10-16(14)17-20-11-6-12-21-17/h1-5,7-10,13,17,19H,6,11-12H2
InChIKeyCYPAVBCQSATSAU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.57
Rot. Bonds4

About N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline

N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline (PubChem CID 169382596) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline
PubChem CID169382596
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccccc1C1OCCCO1
InChIInChI=1S/C17H18N2O2/c1-2-8-15(9-3-1)19-18-13-14-7-4-5-10-16(14)17-20-11-6-12-21-17/h1-5,7-10,13,17,19H,6,11-12H2
InChIKeyCYPAVBCQSATSAU-UHFFFAOYSA-N
XLogP3.57
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
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 N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline (CID 169382596) is N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline is C(=NNc1ccccc1)c1ccccc1C1OCCCO1.
What is the InChIKey of N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline?
The InChIKey is CYPAVBCQSATSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-8-15(9-3-1)19-18-13-14-7-4-5-10-16(14)17-20-11-6-12-21-17/h1-5,7-10,13,17,19H,6,11-12H2.
What are the key properties of N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline?
N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline has a molecular weight of 282.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-dioxan-2-yl)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).