N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine

C17H25NO2 — CID 62107918

IUPACN-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
SMILESc1ccc(C(CNC2CC2)OCC2CCCCO2)cc1
InChIInChI=1S/C17H25NO2/c1-2-6-14(7-3-1)17(12-18-15-9-10-15)20-13-16-8-4-5-11-19-16/h1-3,6-7,15-18H,4-5,8-13H2
InChIKeyWHGJSLQLBOVHRZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine

N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine (PubChem CID 62107918) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
PubChem CID62107918
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine
SMILESc1ccc(C(CNC2CC2)OCC2CCCCO2)cc1
InChIInChI=1S/C17H25NO2/c1-2-6-14(7-3-1)17(12-18-15-9-10-15)20-13-16-8-4-5-11-19-16/h1-3,6-7,15-18H,4-5,8-13H2
InChIKeyWHGJSLQLBOVHRZ-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]propan-1-amine
CID 62445664
N-[2-(4-methylphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62106890
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]cyclopropanamine
CID 62107947
ethane;[(2S)-oxan-2-yl]methoxy-phenylmethanol
CID 143051501
2-(4-chlorophenyl)-N-ethyl-2-(oxan-2-ylmethoxy)ethanamine
CID 62106135
N-(2-pentoxy-2-phenylethyl)cyclopropanamine
CID 55036631
2-[[1-(4-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772676
N-[2-(oxan-2-ylmethoxy)pentyl]cyclopropanamine
CID 83045877
N-[2-(2-cyclobutylethoxy)-2-phenylethyl]cyclopropanamine
CID 106205044
2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]oxane
CID 114772647
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine?
The IUPAC name of N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine (CID 62107918) is N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine is c1ccc(C(CNC2CC2)OCC2CCCCO2)cc1.
What is the InChIKey of N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine?
The InChIKey is WHGJSLQLBOVHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-6-14(7-3-1)17(12-18-15-9-10-15)20-13-16-8-4-5-11-19-16/h1-3,6-7,15-18H,4-5,8-13H2.
What are the key properties of N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine?
N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine has a molecular weight of 275.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-ylmethoxy)-2-phenylethyl]cyclopropanamine is sourced from PubChem (CID 62107918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).