(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine

C17H27NO2 — CID 105018368

IUPAC(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC(C)Oc1ccccc1C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C17H27NO2/c1-10(2)19-15-9-7-6-8-14(15)17(18)16-11(3)12(4)20-13(16)5/h6-13,16-17H,18H2,1-5H3
InChIKeyMZXNNQTYQQCWPG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.53
Rot. Bonds4

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

(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 105018368) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID105018368
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC(C)Oc1ccccc1C(N)C1C(C)OC(C)C1C
InChIInChI=1S/C17H27NO2/c1-10(2)19-15-9-7-6-8-14(15)17(18)16-11(3)12(4)20-13(16)5/h6-13,16-17H,18H2,1-5H3
InChIKeyMZXNNQTYQQCWPG-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115823700
7-bicyclo[4.1.0]heptanyl-(2-propan-2-yloxyphenyl)methanamine
CID 105018412
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
(1S)-3-fluoro-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 171231545
(2-phenylcyclopropyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018334
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105049243
(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
(2-methylnaphthalen-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 81431016
(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 106692739
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106764925
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 105018368) is (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine is CC(C)Oc1ccccc1C(N)C1C(C)OC(C)C1C.
What is the InChIKey of (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is MZXNNQTYQQCWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-10(2)19-15-9-7-6-8-14(15)17(18)16-11(3)12(4)20-13(16)5/h6-13,16-17H,18H2,1-5H3.
What are the key properties of (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine?
(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105018368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).