1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine

C16H26N2O2 — CID 62986560

IUPAC1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
SMILESCCOc1ccccc1C(N)CN1CCCOC(C)C1
InChIInChI=1S/C16H26N2O2/c1-3-19-16-8-5-4-7-14(16)15(17)12-18-9-6-10-20-13(2)11-18/h4-5,7-8,13,15H,3,6,9-12,17H2,1-2H3
InChIKeyZFQOEKFCNJROIJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.20
Rot. Bonds5

About 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine

1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine (PubChem CID 62986560) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
PubChem CID62986560
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
SMILESCCOc1ccccc1C(N)CN1CCCOC(C)C1
InChIInChI=1S/C16H26N2O2/c1-3-19-16-8-5-4-7-14(16)15(17)12-18-9-6-10-20-13(2)11-18/h4-5,7-8,13,15H,3,6,9-12,17H2,1-2H3
InChIKeyZFQOEKFCNJROIJ-UHFFFAOYSA-N
XLogP2.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62974390
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 62988321
1-(2-aminophenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62986854
1-[2-amino-2-(2-ethoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452250
N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
CID 62986930
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662
1-(3,4-dimethylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988665
2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine
CID 62122834
1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
2-[3-(2-methyl-1,4-oxazepan-4-yl)propoxy]aniline
CID 62987901
1-(2,4-dimethoxyphenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16786884

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine (CID 62986560) is 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine is CCOc1ccccc1C(N)CN1CCCOC(C)C1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
The InChIKey is ZFQOEKFCNJROIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-19-16-8-5-4-7-14(16)15(17)12-18-9-6-10-20-13(2)11-18/h4-5,7-8,13,15H,3,6,9-12,17H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine?
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine is sourced from PubChem (CID 62986560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).