2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine

C16H26N2O — CID 62988305

IUPAC2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(CN)N2CCCOCC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-9-13(2)16(14(3)10-12)15(11-17)18-5-4-7-19-8-6-18/h9-10,15H,4-8,11,17H2,1-3H3
InChIKeyGLIFMYNAXPQHMP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.33
Rot. Bonds3

About 2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine

2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 62988305) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID62988305
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(CN)N2CCCOCC2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-9-13(2)16(14(3)10-12)15(11-17)18-5-4-7-19-8-6-18/h9-10,15H,4-8,11,17H2,1-3H3
InChIKeyGLIFMYNAXPQHMP-UHFFFAOYSA-N
XLogP2.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 82090983
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115559395
2-(1,3-dimethylpyrazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 83089014
2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 66117100
2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55152004
2-(5-ethylthiophen-2-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55154271
2-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanamine
CID 82301212
2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 103531517
(2R)-2-(2,6-difluorophenyl)-2-morpholin-4-ylethanamine
CID 30115194
2-(2,3-difluorophenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55234530
2-(3-bromothiophen-2-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 115380425
3-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 64527351

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 62988305) is 2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(CN)N2CCCOCC2)c(C)c1.
What is the InChIKey of 2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is GLIFMYNAXPQHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-13(2)16(14(3)10-12)15(11-17)18-5-4-7-19-8-6-18/h9-10,15H,4-8,11,17H2,1-3H3.
What are the key properties of 2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxazepan-4-yl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 62988305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).