N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline

C17H19NO3 — CID 81093029

IUPACN-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline
SMILESc1ccc(Oc2ccc(NCC3CCOCO3)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-2-4-15(5-3-1)21-16-8-6-14(7-9-16)18-12-17-10-11-19-13-20-17/h1-9,17-18H,10-13H2
InChIKeyKWSVCLMLQJUWRQ-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.65
Rot. Bonds5

About N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline

N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline (PubChem CID 81093029) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline
PubChem CID81093029
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline
SMILESc1ccc(Oc2ccc(NCC3CCOCO3)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-2-4-15(5-3-1)21-16-8-6-14(7-9-16)18-12-17-10-11-19-13-20-17/h1-9,17-18H,10-13H2
InChIKeyKWSVCLMLQJUWRQ-UHFFFAOYSA-N
XLogP3.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dioxan-4-ylmethyl)-4-iodoaniline
CID 81102544
4-bromo-N-(1,3-dioxan-4-ylmethyl)aniline
CID 78997204
N-(1,3-dioxan-4-ylmethyl)-9H-fluoren-2-amine
CID 81093030
3-(1,3-dioxan-4-ylmethylamino)benzonitrile
CID 81102664
N-(1,3-dioxan-4-ylmethyl)-3,4,5-trifluoroaniline
CID 81101688
N-(1,3-dioxan-4-ylmethyl)-2-methylsulfanylaniline
CID 104952378
N-(1,3-dioxan-4-ylmethyl)-2,4-dimethoxyaniline
CID 81101068
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
N-(1,3-dioxan-4-ylmethyl)-2-propan-2-ylaniline
CID 81101182
N-(1,3-dioxan-4-ylmethyl)-2-fluoro-5-methoxyaniline
CID 81093394
N-[4-(oxolan-2-ylmethylamino)phenyl]-3-phenoxypropanamide
CID 112981200
N'-(4-phenoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806748

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline (CID 81093029) is N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline is c1ccc(Oc2ccc(NCC3CCOCO3)cc2)cc1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline?
The InChIKey is KWSVCLMLQJUWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-4-15(5-3-1)21-16-8-6-14(7-9-16)18-12-17-10-11-19-13-20-17/h1-9,17-18H,10-13H2.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline?
N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline has a molecular weight of 285.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-4-phenoxyaniline is sourced from PubChem (CID 81093029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).