N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine

C15H23NO — CID 113289535

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine
SMILESCc1ccc(C)c(C(C)NC2CCOC2C)c1
InChIInChI=1S/C15H23NO/c1-10-5-6-11(2)14(9-10)12(3)16-15-7-8-17-13(15)4/h5-6,9,12-13,15-16H,7-8H2,1-4H3
InChIKeyQVINRMPUEUPELV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.13
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine

N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine (PubChem CID 113289535) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine
PubChem CID113289535
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine
SMILESCc1ccc(C)c(C(C)NC2CCOC2C)c1
InChIInChI=1S/C15H23NO/c1-10-5-6-11(2)14(9-10)12(3)16-15-7-8-17-13(15)4/h5-6,9,12-13,15-16H,7-8H2,1-4H3
InChIKeyQVINRMPUEUPELV-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine
CID 82725548
3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one
CID 43824080
N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335540
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 82962821
2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]oxolan-3-amine
CID 115336297
3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
CID 43751115
N-[(1S)-1-(furan-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82718277
N-[1-(4-iodophenyl)ethyl]-2-methyloxolan-3-amine
CID 82725741
N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43732518
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine (CID 113289535) is N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine is Cc1ccc(C)c(C(C)NC2CCOC2C)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine?
The InChIKey is QVINRMPUEUPELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-5-6-11(2)14(9-10)12(3)16-15-7-8-17-13(15)4/h5-6,9,12-13,15-16H,7-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine has a molecular weight of 233.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 113289535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).