N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine

C16H25NO — CID 114825011

IUPACN-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1c(C)cc(C)cc1C)C1COC(C)C1
InChIInChI=1S/C16H25NO/c1-10-6-11(2)15(12(3)7-10)16(17-5)14-8-13(4)18-9-14/h6-7,13-14,16-17H,8-9H2,1-5H3
InChIKeyZHNIJCMLSKDZFH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.30
Rot. Bonds3

About N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine

N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 114825011) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID114825011
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1c(C)cc(C)cc1C)C1COC(C)C1
InChIInChI=1S/C16H25NO/c1-10-6-11(2)15(12(3)7-10)16(17-5)14-8-13(4)18-9-14/h6-7,13-14,16-17H,8-9H2,1-5H3
InChIKeyZHNIJCMLSKDZFH-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114824998
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825347
1-cyclobutyl-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484275
4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
CID 116957010
[(3,5-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]hydrazine
CID 105286824
N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825292
[(2,5-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]hydrazine
CID 105292630
N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 114825004
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 102828280
N-[(2,4-difluoro-5-methylphenyl)-(5-methyloxolan-3-yl)methyl]propan-2-amine
CID 114825310
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825030

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine (CID 114825011) is N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine is CNC(c1c(C)cc(C)cc1C)C1COC(C)C1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is ZHNIJCMLSKDZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-6-11(2)15(12(3)7-10)16(17-5)14-8-13(4)18-9-14/h6-7,13-14,16-17H,8-9H2,1-5H3.
What are the key properties of N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine?
N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 114825011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).