(2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine

C16H25NO — CID 65154996

IUPAC(2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCc1ccc(C(N)C2C(C)OC(C)C2C)c(C)c1
InChIInChI=1S/C16H25NO/c1-9-6-7-14(10(2)8-9)16(17)15-11(3)12(4)18-13(15)5/h6-8,11-13,15-16H,17H2,1-5H3
InChIKeyJAMRZYLCSBGLPD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.36
Rot. Bonds2

About (2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine

(2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 65154996) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID65154996
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCc1ccc(C(N)C2C(C)OC(C)C2C)c(C)c1
InChIInChI=1S/C16H25NO/c1-9-6-7-14(10(2)8-9)16(17)15-11(3)12(4)18-13(15)5/h6-8,11-13,15-16H,17H2,1-5H3
InChIKeyJAMRZYLCSBGLPD-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-adamantyl-(2,4-dimethylphenyl)methanamine
CID 81100693
[(5-methyl-1-benzofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105338319
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 81431016
3-[bromo-(4-methylphenyl)methyl]-2,4,5-trimethyloxolane
CID 65158260
4-[amino-(2,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937234
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
(1S)-1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-amine
CID 28500813
1-(2,4-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933377
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of (2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 65154996) is (2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for (2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine is Cc1ccc(C(N)C2C(C)OC(C)C2C)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is JAMRZYLCSBGLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-9-6-7-14(10(2)8-9)16(17)15-11(3)12(4)18-13(15)5/h6-8,11-13,15-16H,17H2,1-5H3.
What are the key properties of (2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
(2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 65154996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).