2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol

C14H21NO2 — CID 82982688

IUPAC2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
SMILESCC1OCCC1N(C)C(C)c1ccccc1O
InChIInChI=1S/C14H21NO2/c1-10(12-6-4-5-7-14(12)16)15(3)13-8-9-17-11(13)2/h4-7,10-11,13,16H,8-9H2,1-3H3
InChIKeyWQYFWNCMIVAGJZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.56
Rot. Bonds3

About 2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol

2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol (PubChem CID 82982688) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
PubChem CID82982688
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
SMILESCC1OCCC1N(C)C(C)c1ccccc1O
InChIInChI=1S/C14H21NO2/c1-10(12-6-4-5-7-14(12)16)15(3)13-8-9-17-11(13)2/h4-7,10-11,13,16H,8-9H2,1-3H3
InChIKeyWQYFWNCMIVAGJZ-UHFFFAOYSA-N
XLogP2.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol
CID 82983699
(1R)-1-[2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 82742779
N,2-dimethyl-N-[2-[1-(methylamino)ethyl]phenyl]oxolan-3-amine
CID 82740072
1-(2-fluorophenyl)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 115997198
1-[3-fluoro-2-[methyl-(2-methyloxolan-3-yl)amino]phenyl]ethanol
CID 114059222
1-(2-fluorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82743779
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
CID 82739333
N-[2-[(1R)-1-aminoethyl]-6-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 114058774
N-methyl-N-(2-methyloxolan-3-yl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 82734785
2-[methyl-(2-methyloxolan-3-yl)amino]propanenitrile
CID 82738997
4-N-methyl-4-N-(2-methyloxolan-3-yl)benzene-1,4-disulfonamide
CID 82729852
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol (CID 82982688) is 2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol is CC1OCCC1N(C)C(C)c1ccccc1O.
What is the InChIKey of 2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol?
The InChIKey is WQYFWNCMIVAGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(12-6-4-5-7-14(12)16)15(3)13-8-9-17-11(13)2/h4-7,10-11,13,16H,8-9H2,1-3H3.
What are the key properties of 2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol?
2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(2-methyloxolan-3-yl)amino]ethyl]phenol is sourced from PubChem (CID 82982688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).