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

C15H23NO2 — CID 103132816

IUPACN-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCC1CCC(C)O1
InChIInChI=1S/C15H23NO2/c1-3-16-10-13-6-4-5-7-15(13)17-11-14-9-8-12(2)18-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyPPOOXAMJZQZECN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds6

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

N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 103132816) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID103132816
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCC1CCC(C)O1
InChIInChI=1S/C15H23NO2/c1-3-16-10-13-6-4-5-7-15(13)17-11-14-9-8-12(2)18-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyPPOOXAMJZQZECN-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132818
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 103132821
2-methyl-N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133101
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
CID 103134352
N-[[5-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132827
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
N-[[3,5-difluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103133316
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 103136606
N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 79184613
[2-chloro-6-[(5-methyloxolan-2-yl)methoxy]phenyl]methanol
CID 103135193

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine (CID 103132816) is N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCC1CCC(C)O1.
What is the InChIKey of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is PPOOXAMJZQZECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16-10-13-6-4-5-7-15(13)17-11-14-9-8-12(2)18-14/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine?
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 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]ethanamine is sourced from PubChem (CID 103132816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).