2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine

C15H23NO2 — CID 82727034

IUPAC2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine
SMILESCC(C)COc1cccc(NC2CCOC2C)c1
InChIInChI=1S/C15H23NO2/c1-11(2)10-18-14-6-4-5-13(9-14)16-15-7-8-17-12(15)3/h4-6,9,11-12,15-16H,7-8,10H2,1-3H3
InChIKeyPQJYDGJGPDOZQF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine

2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine (PubChem CID 82727034) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine
PubChem CID82727034
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine
SMILESCC(C)COc1cccc(NC2CCOC2C)c1
InChIInChI=1S/C15H23NO2/c1-11(2)10-18-14-6-4-5-13(9-14)16-15-7-8-17-12(15)3/h4-6,9,11-12,15-16H,7-8,10H2,1-3H3
InChIKeyPQJYDGJGPDOZQF-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
N-methyl-2-[3-[(2-methyloxolan-3-yl)amino]phenoxy]acetamide
CID 82727757
4-[3-(2-methylpropoxy)anilino]cyclohexan-1-ol
CID 106594336
N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364370
N-(3-cyclopropylcyclohexyl)-3-(2-methylpropoxy)aniline
CID 64623365
(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 97358489
3-(2-methylpropoxy)-N-(oxolan-3-ylmethyl)aniline
CID 54864333
1-methyl-N-[3-(2-methylpropoxy)phenyl]azepan-4-amine
CID 65070438
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802595
2-chloro-N-[3-(2-methylpropoxy)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81247137
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
CID 82727169

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine (CID 82727034) is 2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine is CC(C)COc1cccc(NC2CCOC2C)c1.
What is the InChIKey of 2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine?
The InChIKey is PQJYDGJGPDOZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)10-18-14-6-4-5-13(9-14)16-15-7-8-17-12(15)3/h4-6,9,11-12,15-16H,7-8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine?
2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine has a molecular weight of 249.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylpropoxy)phenyl]oxolan-3-amine is sourced from PubChem (CID 82727034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).