(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C17H27NO2 — CID 114623396

IUPAC(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCOc1ccc(C(N)C2CC(C)(C)OC2(C)C)cc1C
InChIInChI=1S/C17H27NO2/c1-11-9-12(7-8-14(11)19-6)15(18)13-10-16(2,3)20-17(13,4)5/h7-9,13,15H,10,18H2,1-6H3
InChIKeyLGKQZCBVWBJZOK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.60
Rot. Bonds3

About (4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114623396) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114623396
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCOc1ccc(C(N)C2CC(C)(C)OC2(C)C)cc1C
InChIInChI=1S/C17H27NO2/c1-11-9-12(7-8-14(11)19-6)15(18)13-10-16(2,3)20-17(13,4)5/h7-9,13,15H,10,18H2,1-6H3
InChIKeyLGKQZCBVWBJZOK-UHFFFAOYSA-N
XLogP3.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
(3,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114621967
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602
(4-methoxy-3-methylphenyl)-(2-methylcyclopropyl)methanamine
CID 43379643
(S)-(4-methoxy-3-methylphenyl)-(oxan-4-yl)methanamine
CID 171244198
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
(5-fluoro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114622974
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755
(2-methoxy-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 106790557
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114623396) is (4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is COc1ccc(C(N)C2CC(C)(C)OC2(C)C)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is LGKQZCBVWBJZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-9-12(7-8-14(11)19-6)15(18)13-10-16(2,3)20-17(13,4)5/h7-9,13,15H,10,18H2,1-6H3.
What are the key properties of (4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114623396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).