N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine

C15H23NO3 — CID 106658557

IUPACN-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCCOCc1ccccc1NC1COC(C)(C)OC1
InChIInChI=1S/C15H23NO3/c1-4-17-9-12-7-5-6-8-14(12)16-13-10-18-15(2,3)19-11-13/h5-8,13,16H,4,9-11H2,1-3H3
InChIKeyJJYTXBOOXOVLOQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine

N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658557) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658557
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCCOCc1ccccc1NC1COC(C)(C)OC1
InChIInChI=1S/C15H23NO3/c1-4-17-9-12-7-5-6-8-14(12)16-13-10-18-15(2,3)19-11-13/h5-8,13,16H,4,9-11H2,1-3H3
InChIKeyJJYTXBOOXOVLOQ-UHFFFAOYSA-N
XLogP2.79
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethoxymethyl)phenyl]cycloheptanamine
CID 43750302
N-[2-(ethoxymethyl)phenyl]-5,5-dimethylthian-3-amine
CID 79958221
2,2-dimethyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-dioxan-5-amine
CID 106658329
2-(ethoxymethyl)-N-(3-methylcyclopentyl)aniline
CID 64500672
N-(2-ethylsulfanylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658623
N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine
CID 79941827
N-[2-(ethoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931357
2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzonitrile
CID 106658043
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658673
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide
CID 106658526
2-[[2-(ethoxymethyl)phenyl]methyl]oxirane
CID 151772121

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658557) is N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine is CCOCc1ccccc1NC1COC(C)(C)OC1.
What is the InChIKey of N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is JJYTXBOOXOVLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-17-9-12-7-5-6-8-14(12)16-13-10-18-15(2,3)19-11-13/h5-8,13,16H,4,9-11H2,1-3H3.
What are the key properties of N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine?
N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 265.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).