N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine

C17H27NO2 — CID 81330130

IUPACN-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CCOC)cc1)C1CCC(C)O1
InChIInChI=1S/C17H27NO2/c1-4-18-17(16-10-5-13(2)20-16)15-8-6-14(7-9-15)11-12-19-3/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyWFGIPYUVRGWSMP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.09
Rot. Bonds7

About N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine

N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 81330130) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID81330130
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CCOC)cc1)C1CCC(C)O1
InChIInChI=1S/C17H27NO2/c1-4-18-17(16-10-5-13(2)20-16)15-8-6-14(7-9-15)11-12-19-3/h6-9,13,16-18H,4-5,10-12H2,1-3H3
InChIKeyWFGIPYUVRGWSMP-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methoxyethyl)phenyl]-(oxolan-2-yl)methyl]ethanamine
CID 43489770
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050748
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105019030
1-cyclopropyl-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482389
N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 63012897
N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330427
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489727
N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43489783
N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81331178

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine (CID 81330130) is N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine is CCNC(c1ccc(CCOC)cc1)C1CCC(C)O1.
What is the InChIKey of N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is WFGIPYUVRGWSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-18-17(16-10-5-13(2)20-16)15-8-6-14(7-9-15)11-12-19-3/h6-9,13,16-18H,4-5,10-12H2,1-3H3.
What are the key properties of N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine?
N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 81330130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).