N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine

C15H23NO4 — CID 106658448

IUPACN-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCCOc1cc(NC2COC(C)(C)OC2)ccc1OC
InChIInChI=1S/C15H23NO4/c1-5-18-14-8-11(6-7-13(14)17-4)16-12-9-19-15(2,3)20-10-12/h6-8,12,16H,5,9-10H2,1-4H3
InChIKeyPRWJZSYEWCROKQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.66
Rot. Bonds5

About N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine

N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658448) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658448
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCCOc1cc(NC2COC(C)(C)OC2)ccc1OC
InChIInChI=1S/C15H23NO4/c1-5-18-14-8-11(6-7-13(14)17-4)16-12-9-19-15(2,3)20-10-12/h6-8,12,16H,5,9-10H2,1-4H3
InChIKeyPRWJZSYEWCROKQ-UHFFFAOYSA-N
XLogP2.66
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860047
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039
N-(3-ethoxy-4-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941817
N-(3-ethoxy-4-methoxyphenyl)-1-methylazepan-4-amine
CID 65070278
N-(3-ethoxy-4-methoxyphenyl)-4,4-dimethylthian-3-amine
CID 79948684
3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
CID 79461999
N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658028
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657987
N-(2,2-dimethyl-1,3-dioxan-5-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 106658230
3-ethoxy-4-methoxy-N-(oxan-4-ylmethyl)aniline
CID 62384517
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658448) is N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine is CCOc1cc(NC2COC(C)(C)OC2)ccc1OC.
What is the InChIKey of N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is PRWJZSYEWCROKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-18-14-8-11(6-7-13(14)17-4)16-12-9-19-15(2,3)20-10-12/h6-8,12,16H,5,9-10H2,1-4H3.
What are the key properties of N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 281.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).