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

C15H24N2O2 — CID 62988321

IUPAC1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
SMILESCCOc1ccccc1C(N)CN1CCCOCC1
InChIInChI=1S/C15H24N2O2/c1-2-19-15-7-4-3-6-13(15)14(16)12-17-8-5-10-18-11-9-17/h3-4,6-7,14H,2,5,8-12,16H2,1H3
InChIKeyVUFGUALKXONPTP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.81
Rot. Bonds5

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

1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine (PubChem CID 62988321) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
PubChem CID62988321
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
SMILESCCOc1ccccc1C(N)CN1CCCOCC1
InChIInChI=1S/C15H24N2O2/c1-2-19-15-7-4-3-6-13(15)14(16)12-17-8-5-10-18-11-9-17/h3-4,6-7,14H,2,5,8-12,16H2,1H3
InChIKeyVUFGUALKXONPTP-UHFFFAOYSA-N
XLogP1.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.81
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)ethanamine
CID 62986560
1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989
2-(2,3-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanamine
CID 62122834
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
1-(2-ethoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79057615
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495074
1-(2,5-dimethoxyphenyl)-2-morpholin-4-ylethanamine
CID 16780959
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(1,4-oxazepan-4-yl)ethanamine
CID 154758902
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine (CID 62988321) is 1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine is CCOc1ccccc1C(N)CN1CCCOCC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine?
The InChIKey is VUFGUALKXONPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-19-15-7-4-3-6-13(15)14(16)12-17-8-5-10-18-11-9-17/h3-4,6-7,14H,2,5,8-12,16H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine?
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.81, 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-(1,4-oxazepan-4-yl)ethanamine is sourced from PubChem (CID 62988321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).