2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline

C15H23NO2 — CID 82836058

IUPAC2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1NCC1CCCO1
InChIInChI=1S/C15H23NO2/c1-11(2)18-13-6-7-15(12(3)9-13)16-10-14-5-4-8-17-14/h6-7,9,11,14,16H,4-5,8,10H2,1-3H3
InChIKeyQVJRPGPWEYVJCC-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.37
Rot. Bonds5

About 2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline

2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline (PubChem CID 82836058) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
PubChem CID82836058
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1NCC1CCCO1
InChIInChI=1S/C15H23NO2/c1-11(2)18-13-6-7-15(12(3)9-13)16-10-14-5-4-8-17-14/h6-7,9,11,14,16H,4-5,8,10H2,1-3H3
InChIKeyQVJRPGPWEYVJCC-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 82834994
N-[[(2S)-oxolan-2-yl]methyl]-N'-[(4-propan-2-yloxyphenyl)methyl]oxamide
CID 125144932
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
N-(oxolan-2-ylmethyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829868
5-amino-2-[[(2R)-oxolan-2-yl]methylamino]-N-propan-2-ylbenzamide
CID 100641884
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053079
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline (CID 82836058) is 2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline is Cc1cc(OC(C)C)ccc1NCC1CCCO1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline?
The InChIKey is QVJRPGPWEYVJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)18-13-6-7-15(12(3)9-13)16-10-14-5-4-8-17-14/h6-7,9,11,14,16H,4-5,8,10H2,1-3H3.
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline?
2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline has a molecular weight of 249.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 82836058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).