N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine

C17H27NO2 — CID 65158505

IUPACN-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCCC2CCCO2)c(CNC(C)C)c1
InChIInChI=1S/C17H27NO2/c1-13(2)18-12-15-11-14(3)6-7-17(15)20-10-8-16-5-4-9-19-16/h6-7,11,13,16,18H,4-5,8-10,12H2,1-3H3
InChIKeyCQUORGFFVNNAST-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.44
Rot. Bonds7

About N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine

N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 65158505) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID65158505
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCCC2CCCO2)c(CNC(C)C)c1
InChIInChI=1S/C17H27NO2/c1-13(2)18-12-15-11-14(3)6-7-17(15)20-10-8-16-5-4-9-19-16/h6-7,11,13,16,18H,4-5,8-10,12H2,1-3H3
InChIKeyCQUORGFFVNNAST-UHFFFAOYSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]propan-2-amine
CID 65164886
1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158929
(1S)-1-[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004695
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378
N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158607
[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]boronic acid
CID 65162445
1-[5-methyl-2-[3-(oxolan-2-yl)propoxy]phenyl]butan-2-amine
CID 65164133
N-[[5-methyl-2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133215
N-[[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158931
N-[[5-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 65158549
N-[[5-methyl-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 63326742
N-[[2-(3-fluoropropoxy)-5-methylphenyl]methyl]propan-2-amine
CID 81105702

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 65158505) is N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine is Cc1ccc(OCCC2CCCO2)c(CNC(C)C)c1.
What is the InChIKey of N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is CQUORGFFVNNAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)18-12-15-11-14(3)6-7-17(15)20-10-8-16-5-4-9-19-16/h6-7,11,13,16,18H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 65158505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).