[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine

C16H25NO2 — CID 62455082

IUPAC[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
SMILESCc1ccc(C(C)C)c(OCC2CCC(CN)O2)c1
InChIInChI=1S/C16H25NO2/c1-11(2)15-7-4-12(3)8-16(15)18-10-14-6-5-13(9-17)19-14/h4,7-8,11,13-14H,5-6,9-10,17H2,1-3H3
InChIKeyXGZNSEUDMZUESG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.00
Rot. Bonds5

About [5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine

[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine (PubChem CID 62455082) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
PubChem CID62455082
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine
SMILESCc1ccc(C(C)C)c(OCC2CCC(CN)O2)c1
InChIInChI=1S/C16H25NO2/c1-11(2)15-7-4-12(3)8-16(15)18-10-14-6-5-13(9-17)19-14/h4,7-8,11,13-14H,5-6,9-10,17H2,1-3H3
InChIKeyXGZNSEUDMZUESG-UHFFFAOYSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2,3-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 55077404
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62452869
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 78947367
1-[2-(aminomethyl)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 119467090
(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
1-[2-(aminomethyl)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119467089
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
N-[[5-[(2,4-dimethylphenoxy)methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
CID 62453470
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
[5-[(2-bromophenoxy)methyl]oxolan-2-yl]methanamine
CID 62451404

Frequently Asked Questions

What is the IUPAC name of [5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine (CID 62455082) is [5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine is Cc1ccc(C(C)C)c(OCC2CCC(CN)O2)c1.
What is the InChIKey of [5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine?
The InChIKey is XGZNSEUDMZUESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)15-7-4-12(3)8-16(15)18-10-14-6-5-13(9-17)19-14/h4,7-8,11,13-14H,5-6,9-10,17H2,1-3H3.
What are the key properties of [5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine?
[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methyl-2-propan-2-ylphenoxy)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62455082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).