2-(3-methylanilino)-2-(oxolan-3-yl)ethanol

C13H19NO2 — CID 61047784

IUPAC2-(3-methylanilino)-2-(oxolan-3-yl)ethanol
SMILESCc1cccc(NC(CO)C2CCOC2)c1
InChIInChI=1S/C13H19NO2/c1-10-3-2-4-12(7-10)14-13(8-15)11-5-6-16-9-11/h2-4,7,11,13-15H,5-6,8-9H2,1H3
InChIKeyYFPOTKAUHDUYOM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.80
Rot. Bonds4

About 2-(3-methylanilino)-2-(oxolan-3-yl)ethanol

2-(3-methylanilino)-2-(oxolan-3-yl)ethanol (PubChem CID 61047784) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(3-methylanilino)-2-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylanilino)-2-(oxolan-3-yl)ethanol
PubChem CID61047784
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(3-methylanilino)-2-(oxolan-3-yl)ethanol
SMILESCc1cccc(NC(CO)C2CCOC2)c1
InChIInChI=1S/C13H19NO2/c1-10-3-2-4-12(7-10)14-13(8-15)11-5-6-16-9-11/h2-4,7,11,13-15H,5-6,8-9H2,1H3
InChIKeyYFPOTKAUHDUYOM-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65378828
3-bromo-N-[1-(oxolan-3-yl)propyl]aniline
CID 115916687
2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol
CID 62392316
N-[1-(oxolan-3-yl)propyl]aniline
CID 115729358
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
(3-methylphenyl)-(oxolan-3-yl)methanamine
CID 63564750
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 84598905
N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115917600
N-[2-(3-methylphenyl)sulfonyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754220
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-2-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(3-methylanilino)-2-(oxolan-3-yl)ethanol (CID 61047784) is 2-(3-methylanilino)-2-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(3-methylanilino)-2-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(3-methylanilino)-2-(oxolan-3-yl)ethanol is Cc1cccc(NC(CO)C2CCOC2)c1.
What is the InChIKey of 2-(3-methylanilino)-2-(oxolan-3-yl)ethanol?
The InChIKey is YFPOTKAUHDUYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-3-2-4-12(7-10)14-13(8-15)11-5-6-16-9-11/h2-4,7,11,13-15H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-methylanilino)-2-(oxolan-3-yl)ethanol?
2-(3-methylanilino)-2-(oxolan-3-yl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-2-(oxolan-3-yl)ethanol is sourced from PubChem (CID 61047784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).