N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline

C23H24N2O2 — CID 118954660

IUPACN-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline
SMILESCN(c1ccc(Oc2ccccn2)cc1)c1ccc(C2CCOCC2)cc1
InChIInChI=1S/C23H24N2O2/c1-25(20-7-5-18(6-8-20)19-13-16-26-17-14-19)21-9-11-22(12-10-21)27-23-4-2-3-15-24-23/h2-12,15,19H,13-14,16-17H2,1H3
InChIKeyGVZNHMAJBDJNLJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.54
Rot. Bonds5

About N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline

N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline (PubChem CID 118954660) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline
PubChem CID118954660
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline
SMILESCN(c1ccc(Oc2ccccn2)cc1)c1ccc(C2CCOCC2)cc1
InChIInChI=1S/C23H24N2O2/c1-25(20-7-5-18(6-8-20)19-13-16-26-17-14-19)21-9-11-22(12-10-21)27-23-4-2-3-15-24-23/h2-12,15,19H,13-14,16-17H2,1H3
InChIKeyGVZNHMAJBDJNLJ-UHFFFAOYSA-N
XLogP5.54
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline?
The IUPAC name of N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline (CID 118954660) is N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline.
What is the SMILES notation for N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline?
The canonical SMILES for N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline is CN(c1ccc(Oc2ccccn2)cc1)c1ccc(C2CCOCC2)cc1.
What is the InChIKey of N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline?
The InChIKey is GVZNHMAJBDJNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-25(20-7-5-18(6-8-20)19-13-16-26-17-14-19)21-9-11-22(12-10-21)27-23-4-2-3-15-24-23/h2-12,15,19H,13-14,16-17H2,1H3.
What are the key properties of N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline?
N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline has a molecular weight of 360.46 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxan-4-yl)-N-(4-pyridin-2-yloxyphenyl)aniline is sourced from PubChem (CID 118954660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).