N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine

C16H23NO2 — CID 103132821

IUPACN-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCC1CCC(COc2ccccc2CNC2CC2)O1
InChIInChI=1S/C16H23NO2/c1-12-6-9-15(19-12)11-18-16-5-3-2-4-13(16)10-17-14-7-8-14/h2-5,12,14-15,17H,6-11H2,1H3
InChIKeySQZAXIBMGADLMW-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.88
Rot. Bonds6

About N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine

N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 103132821) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID103132821
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCC1CCC(COc2ccccc2CNC2CC2)O1
InChIInChI=1S/C16H23NO2/c1-12-6-9-15(19-12)11-18-16-5-3-2-4-13(16)10-17-14-7-8-14/h2-5,12,14-15,17H,6-11H2,1H3
InChIKeySQZAXIBMGADLMW-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
2-methyl-N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133101
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132818
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
N-[[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 79171206
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 54937034
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 43277400
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
3-[(5-methyloxolan-2-yl)methoxy]pyridin-2-amine
CID 103132570

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 103132821) is N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine is CC1CCC(COc2ccccc2CNC2CC2)O1.
What is the InChIKey of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is SQZAXIBMGADLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-9-15(19-12)11-18-16-5-3-2-4-13(16)10-17-14-7-8-14/h2-5,12,14-15,17H,6-11H2,1H3.
What are the key properties of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 261.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 103132821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).