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

C17H27NO2 — CID 114623421

IUPAC(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCCOc1ccccc1C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H27NO2/c1-6-19-14-10-8-7-9-12(14)15(18)13-11-16(2,3)20-17(13,4)5/h7-10,13,15H,6,11,18H2,1-5H3
InChIKeyGIPWTBPCPQYAOP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.68
Rot. Bonds4

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

(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114623421) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114623421
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCCOc1ccccc1C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H27NO2/c1-6-19-14-10-8-7-9-12(14)15(18)13-11-16(2,3)20-17(13,4)5/h7-10,13,15H,6,11,18H2,1-5H3
InChIKeyGIPWTBPCPQYAOP-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)phenyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053018
1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine
CID 114621071
1,4-dioxan-2-yl-(2-ethoxyphenyl)methanamine
CID 65352569
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
(3-chloro-2-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103443700
[(2-bromophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105208749
2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622770
(2,2-dimethylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 107004373
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114623421) is (2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CCOc1ccccc1C(N)C1CC(C)(C)OC1(C)C.
What is the InChIKey of (2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is GIPWTBPCPQYAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-19-14-10-8-7-9-12(14)15(18)13-11-16(2,3)20-17(13,4)5/h7-10,13,15H,6,11,18H2,1-5H3.
What are the key properties of (2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114623421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).