N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine

C15H21NO2 — CID 43278533

IUPACN-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(OCC2CCCO2)c1
InChIInChI=1S/C15H21NO2/c1-3-12(10-16-13-6-7-13)9-14(4-1)18-11-15-5-2-8-17-15/h1,3-4,9,13,15-16H,2,5-8,10-11H2
InChIKeyUCSNCNPJCQVPRF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds6

About N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine

N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43278533) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID43278533
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(OCC2CCCO2)c1
InChIInChI=1S/C15H21NO2/c1-3-12(10-16-13-6-7-13)9-14(4-1)18-11-15-5-2-8-17-15/h1,3-4,9,13,15-16H,2,5-8,10-11H2
InChIKeyUCSNCNPJCQVPRF-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
CID 65158588
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802595
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol
CID 110006486
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
N-[[4-methoxy-3-(oxan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43591760
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine (CID 43278533) is N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine is c1cc(CNC2CC2)cc(OCC2CCCO2)c1.
What is the InChIKey of N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is UCSNCNPJCQVPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-12(10-16-13-6-7-13)9-14(4-1)18-11-15-5-2-8-17-15/h1,3-4,9,13,15-16H,2,5-8,10-11H2.
What are the key properties of N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 247.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43278533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).