N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine

C16H26N2O — CID 62986930

IUPACN-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
SMILESCCNC(CN1CCCOC(C)C1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-17-16(15-8-5-4-6-9-15)13-18-10-7-11-19-14(2)12-18/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3
InChIKeyGLHIKOOQQXPEDA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds5

About N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine

N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine (PubChem CID 62986930) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
PubChem CID62986930
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine
SMILESCCNC(CN1CCCOC(C)C1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-17-16(15-8-5-4-6-9-15)13-18-10-7-11-19-14(2)12-18/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3
InChIKeyGLHIKOOQQXPEDA-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-1-phenylpropan-1-amine
CID 62974242
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-1-phenylethanamine
CID 63149781
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol
CID 64897757
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
CID 65280974
N-ethyl-1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495170
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62986560
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
2-(2-methyl-1,4-oxazepan-4-yl)-1-(2-methylphenyl)ethanol
CID 62973662
2-(2-methyl-1,4-oxazepan-4-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62986559
N-methyl-2-(2-methyl-1,4-oxazepan-4-yl)-2-phenylethanamine
CID 62974266

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine?
The IUPAC name of N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine (CID 62986930) is N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine is CCNC(CN1CCCOC(C)C1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine?
The InChIKey is GLHIKOOQQXPEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-17-16(15-8-5-4-6-9-15)13-18-10-7-11-19-14(2)12-18/h4-6,8-9,14,16-17H,3,7,10-13H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine?
N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1-phenylethanamine is sourced from PubChem (CID 62986930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).