2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine

C16H25NO — CID 82725548

IUPAC2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine
SMILESCc1cc(C)c(C(C)NC2CCOC2C)cc1C
InChIInChI=1S/C16H25NO/c1-10-8-12(3)15(9-11(10)2)13(4)17-16-6-7-18-14(16)5/h8-9,13-14,16-17H,6-7H2,1-5H3
InChIKeyPWLRTDLSQGYMGJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.44
Rot. Bonds3

About 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine

2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine (PubChem CID 82725548) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine
PubChem CID82725548
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine
SMILESCc1cc(C)c(C(C)NC2CCOC2C)cc1C
InChIInChI=1S/C16H25NO/c1-10-8-12(3)15(9-11(10)2)13(4)17-16-6-7-18-14(16)5/h8-9,13-14,16-17H,6-7H2,1-5H3
InChIKeyPWLRTDLSQGYMGJ-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine (CID 82725548) is 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine is Cc1cc(C)c(C(C)NC2CCOC2C)cc1C.
What is the InChIKey of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine?
The InChIKey is PWLRTDLSQGYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-8-12(3)15(9-11(10)2)13(4)17-16-6-7-18-14(16)5/h8-9,13-14,16-17H,6-7H2,1-5H3.
What are the key properties of 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine?
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 82725548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).