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

C17H25NO2 — CID 65158588

IUPACN-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(OCCCC2CCCO2)c1
InChIInChI=1S/C17H25NO2/c1-4-14(13-18-15-8-9-15)12-17(5-1)20-11-3-7-16-6-2-10-19-16/h1,4-5,12,15-16,18H,2-3,6-11,13H2
InChIKeyIASOPRPOEKXCGW-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.28
Rot. Bonds8

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

N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine (PubChem CID 65158588) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
PubChem CID65158588
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)cc(OCCCC2CCCO2)c1
InChIInChI=1S/C17H25NO2/c1-4-14(13-18-15-8-9-15)12-17(5-1)20-11-3-7-16-6-2-10-19-16/h1,4-5,12,15-16,18H,2-3,6-11,13H2
InChIKeyIASOPRPOEKXCGW-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
2-methyl-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-2-amine
CID 65158699
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163939
2-[2-[3-(bromomethyl)phenoxy]ethyl]oxolane
CID 65163188
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
CID 119128369
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[3-(2-ethoxyethoxy)phenyl]methyl]cyclopentanamine
CID 54798922
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine (CID 65158588) is N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine is c1cc(CNC2CC2)cc(OCCCC2CCCO2)c1.
What is the InChIKey of N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is IASOPRPOEKXCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-14(13-18-15-8-9-15)12-17(5-1)20-11-3-7-16-6-2-10-19-16/h1,4-5,12,15-16,18H,2-3,6-11,13H2.
What are the key properties of N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine?
N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 275.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 65158588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).