2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine

C17H27NO2 — CID 62573045

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1ccc(C(C)C)c(OCCNCC2CCOC2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)16-5-4-14(3)10-17(16)20-9-7-18-11-15-6-8-19-12-15/h4-5,10,13,15,18H,6-9,11-12H2,1-3H3
InChIKeyIGAIQRGIHPKXPD-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.12
Rot. Bonds7

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine

2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62573045) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62573045
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1ccc(C(C)C)c(OCCNCC2CCOC2)c1
InChIInChI=1S/C17H27NO2/c1-13(2)16-5-4-14(3)10-17(16)20-9-7-18-11-15-6-8-19-12-15/h4-5,10,13,15,18H,6-9,11-12H2,1-3H3
InChIKeyIGAIQRGIHPKXPD-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62571173
(1S)-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 78947172
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
N-methyl-1-[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 63639940
1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 95622093
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069
2-(3-ethoxyphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62583804
2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62598290
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
3-(5-methyl-2-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 4136006
2-(5-methyl-2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 54798989
1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine (CID 62573045) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine is Cc1ccc(C(C)C)c(OCCNCC2CCOC2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is IGAIQRGIHPKXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)16-5-4-14(3)10-17(16)20-9-7-18-11-15-6-8-19-12-15/h4-5,10,13,15,18H,6-9,11-12H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62573045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).