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

C15H23NO — CID 82726551

IUPAC2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
SMILESCc1cc(C)c(CNC2CCOC2C)cc1C
InChIInChI=1S/C15H23NO/c1-10-7-12(3)14(8-11(10)2)9-16-15-5-6-17-13(15)4/h7-8,13,15-16H,5-6,9H2,1-4H3
InChIKeyQAFZBDSRNVMEFL-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.88
Rot. Bonds3

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

2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine (PubChem CID 82726551) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
PubChem CID82726551
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine
SMILESCc1cc(C)c(CNC2CCOC2C)cc1C
InChIInChI=1S/C15H23NO/c1-10-7-12(3)14(8-11(10)2)9-16-15-5-6-17-13(15)4/h7-8,13,15-16H,5-6,9H2,1-4H3
InChIKeyQAFZBDSRNVMEFL-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-amine
CID 115968324
N-[(2,4,5-trimethylphenyl)methyl]oxan-4-amine
CID 43778528
N-[(2-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 75525158
(2S,3R)-N-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 97358207
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolan-3-amine
CID 115336384
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 115868289
4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 82726060
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-methyloxolan-3-amine
CID 82725545
(2R,3R)-N-[(4-chlorophenyl)methyl]-2-methyloxolan-3-amine
CID 97358120
4-bromo-3-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 115868288
N-[(4-ethylphenyl)methyl]-2-methyloxolan-3-amine
CID 115337185
2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 115338606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine?
The IUPAC name of 2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine (CID 82726551) is 2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine is Cc1cc(C)c(CNC2CCOC2C)cc1C.
What is the InChIKey of 2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine?
The InChIKey is QAFZBDSRNVMEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-7-12(3)14(8-11(10)2)9-16-15-5-6-17-13(15)4/h7-8,13,15-16H,5-6,9H2,1-4H3.
What are the key properties of 2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine?
2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine has a molecular weight of 233.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,4,5-trimethylphenyl)methyl]oxolan-3-amine is sourced from PubChem (CID 82726551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).