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

C15H23NO — CID 114824998

IUPAC1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(C)cc1C)C1COC(C)C1
InChIInChI=1S/C15H23NO/c1-10-5-6-14(11(2)7-10)15(16-4)13-8-12(3)17-9-13/h5-7,12-13,15-16H,8-9H2,1-4H3
InChIKeySHARCAOEDZMKJI-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine (PubChem CID 114824998) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
PubChem CID114824998
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(C)cc1C)C1COC(C)C1
InChIInChI=1S/C15H23NO/c1-10-5-6-14(11(2)7-10)15(16-4)13-8-12(3)17-9-13/h5-7,12-13,15-16H,8-9H2,1-4H3
InChIKeySHARCAOEDZMKJI-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-methyloxolan-3-yl)-1-(2,4,6-trimethylphenyl)methanamine
CID 114825011
[(2,5-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]hydrazine
CID 105292630
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825347
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825292
N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 114825004
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825030
N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 114825057
[(3,5-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]hydrazine
CID 105286824
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine
CID 114825017
1-(2-chloro-4-methylphenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 106857795
1-(3-cyclobutylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 105053875

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine (CID 114824998) is 1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine is CNC(c1ccc(C)cc1C)C1COC(C)C1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
The InChIKey is SHARCAOEDZMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-5-6-14(11(2)7-10)15(16-4)13-8-12(3)17-9-13/h5-7,12-13,15-16H,8-9H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine?
1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine has a molecular weight of 233.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 114824998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).