2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol

C16H25NO2 — CID 61050569

IUPAC2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(CO)NCC2CCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)13-5-7-14(8-6-13)16(11-18)17-10-15-4-3-9-19-15/h5-8,12,15-18H,3-4,9-11H2,1-2H3
InChIKeyFYTCNQFDWQAGPB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds6

About 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol

2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 61050569) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID61050569
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(CO)NCC2CCCO2)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)13-5-7-14(8-6-13)16(11-18)17-10-15-4-3-9-19-15/h5-8,12,15-18H,3-4,9-11H2,1-2H3
InChIKeyFYTCNQFDWQAGPB-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethylamino)-2-(4-propan-2-yloxyphenyl)ethanol
CID 61049777
2-(4-methoxyphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61050567
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 79979937
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61049580
2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114077509
2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61048775
2-(3-chloro-5-fluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114454315
methyl 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 60994062
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
1-(oxolan-2-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine;hydrochloride
CID 6462943
1-[4-(difluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 115524394
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
CID 55014326

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol (CID 61050569) is 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(CO)NCC2CCCO2)cc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is FYTCNQFDWQAGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)13-5-7-14(8-6-13)16(11-18)17-10-15-4-3-9-19-15/h5-8,12,15-18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol?
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 61050569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).