2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol

C14H21NO2 — CID 106953820

IUPAC2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol
SMILESCc1cc(NCC2CCCOC2)c(C)cc1O
InChIInChI=1S/C14H21NO2/c1-10-7-14(16)11(2)6-13(10)15-8-12-4-3-5-17-9-12/h6-7,12,15-16H,3-5,8-9H2,1-2H3
InChIKeyCYCOXDQBZDIZFP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.85
Rot. Bonds3

About 2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol

2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol (PubChem CID 106953820) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol
PubChem CID106953820
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol
SMILESCc1cc(NCC2CCCOC2)c(C)cc1O
InChIInChI=1S/C14H21NO2/c1-10-7-14(16)11(2)6-13(10)15-8-12-4-3-5-17-9-12/h6-7,12,15-16H,3-5,8-9H2,1-2H3
InChIKeyCYCOXDQBZDIZFP-UHFFFAOYSA-N
XLogP2.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide
CID 106834575
3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide
CID 132970891
2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
CID 43189804
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
6-chloro-N-(oxan-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 63739309
2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 55242224
1-[2-(oxan-3-ylmethylamino)phenyl]ethanol
CID 63739863
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
6-methyl-2-[[[(3R)-oxan-3-yl]methylamino]methyl]pyridin-3-ol
CID 129379259
N,2-dimethyl-3-(oxan-3-ylmethylamino)benzamide
CID 63740558
N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide
CID 63739677
3-methyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43706987

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol?
The IUPAC name of 2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol (CID 106953820) is 2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol.
What is the SMILES notation for 2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol?
The canonical SMILES for 2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol is Cc1cc(NCC2CCCOC2)c(C)cc1O.
What is the InChIKey of 2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol?
The InChIKey is CYCOXDQBZDIZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-14(16)11(2)6-13(10)15-8-12-4-3-5-17-9-12/h6-7,12,15-16H,3-5,8-9H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol?
2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol has a molecular weight of 235.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol is sourced from PubChem (CID 106953820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).