(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C17H27NO — CID 105052724

IUPAC(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1cc(C)cc(C(N)C2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H27NO/c1-11-7-12(2)9-13(8-11)15(18)14-10-16(3,4)19-17(14,5)6/h7-9,14-15H,10,18H2,1-6H3
InChIKeyWEFLTFGWPXEIID-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.90
Rot. Bonds2

About (3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105052724) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105052724
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCc1cc(C)cc(C(N)C2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H27NO/c1-11-7-12(2)9-13(8-11)15(18)14-10-16(3,4)19-17(14,5)6/h7-9,14-15H,10,18H2,1-6H3
InChIKeyWEFLTFGWPXEIID-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602
[(3-bromo-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105341612
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
(2-methylpyrimidin-4-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623417
2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114623195
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622944

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105052724) is (3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is Cc1cc(C)cc(C(N)C2CC(C)(C)OC2(C)C)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is WEFLTFGWPXEIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-7-12(2)9-13(8-11)15(18)14-10-16(3,4)19-17(14,5)6/h7-9,14-15H,10,18H2,1-6H3.
What are the key properties of (3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105052724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).