N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine

C17H25NO2 — CID 62453151

IUPACN-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCc1cccc(OCC2CCC(CNC3CC3)O2)c1C
InChIInChI=1S/C17H25NO2/c1-12-4-3-5-17(13(12)2)19-11-16-9-8-15(20-16)10-18-14-6-7-14/h3-5,14-16,18H,6-11H2,1-2H3
InChIKeyBZIZHKMTNZAEDR-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.98
Rot. Bonds6

About N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine

N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine (PubChem CID 62453151) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
PubChem CID62453151
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
SMILESCc1cccc(OCC2CCC(CNC3CC3)O2)c1C
InChIInChI=1S/C17H25NO2/c1-12-4-3-5-17(13(12)2)19-11-16-9-8-15(20-16)10-18-14-6-7-14/h3-5,14-16,18H,6-11H2,1-2H3
InChIKeyBZIZHKMTNZAEDR-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453326
[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 55077404
N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62486419
N-[[5-[(2-bromo-4-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62460702
N-[[5-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62454708
N-[[5-[(2,4-dichlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62459550
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62460153
N-(cyclopentylmethyl)-2-(2,3-dimethylphenoxy)ethanamine
CID 62572121
N-[[5-(ethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444292
N-[[5-[(3,5-difluorophenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62784526
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 103132821
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine (CID 62453151) is N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine is Cc1cccc(OCC2CCC(CNC3CC3)O2)c1C.
What is the InChIKey of N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
The InChIKey is BZIZHKMTNZAEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-4-3-5-17(13(12)2)19-11-16-9-8-15(20-16)10-18-14-6-7-14/h3-5,14-16,18H,6-11H2,1-2H3.
What are the key properties of N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine?
N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine has a molecular weight of 275.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62453151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).