N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C17H27NO2 — CID 79368361

IUPACN-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccccc1C1OCCC1CNC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-5-19-15-9-7-6-8-14(15)16-13(10-11-20-16)12-18-17(2,3)4/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyJHCKACRTFUHEJS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds5

About N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79368361) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID79368361
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccccc1C1OCCC1CNC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-5-19-15-9-7-6-8-14(15)16-13(10-11-20-16)12-18-17(2,3)4/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyJHCKACRTFUHEJS-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-quinolin-8-yloxolan-3-yl)methyl]propan-2-amine
CID 79370305
N-[[2-[2-(methoxymethyl)phenyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79371163
N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104819146
N-[[2-[2-(trifluoromethoxy)phenyl]oxolan-3-yl]methyl]propan-1-amine
CID 79370079
2-methyl-N-[(2-naphthalen-2-yloxolan-3-yl)methyl]propan-2-amine
CID 79370307
N-[[2-(4-bromo-2-fluorophenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79367897
N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368554
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]oxolan-3-yl]methyl]propan-2-amine
CID 79370301
N-[[2-(2,3-difluorophenyl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 79365209
2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368179
2-methyl-N-[[2-(2-propan-2-yloxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017765
5-tert-butyl-2-(2-ethoxyphenyl)-1,4-oxazepane
CID 106352789

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 79368361) is N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is CCOc1ccccc1C1OCCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JHCKACRTFUHEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-19-15-9-7-6-8-14(15)16-13(10-11-20-16)12-18-17(2,3)4/h6-9,13,16,18H,5,10-12H2,1-4H3.
What are the key properties of N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79368361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).