4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol

C19H25NO2 — CID 154293531

IUPAC4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol
SMILESCc1cc(O)ccc1CNC(C)COc1c(C)cccc1C
InChIInChI=1S/C19H25NO2/c1-13-6-5-7-14(2)19(13)22-12-16(4)20-11-17-8-9-18(21)10-15(17)3/h5-10,16,20-21H,11-12H2,1-4H3
InChIKeyABAKJKROABYMBR-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.87
Rot. Bonds6

About 4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol

4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol (PubChem CID 154293531) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol.

Molecular Properties

Compound Name4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol
PubChem CID154293531
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol
SMILESCc1cc(O)ccc1CNC(C)COc1c(C)cccc1C
InChIInChI=1S/C19H25NO2/c1-13-6-5-7-14(2)19(13)22-12-16(4)20-11-17-8-9-18(21)10-15(17)3/h5-10,16,20-21H,11-12H2,1-4H3
InChIKeyABAKJKROABYMBR-UHFFFAOYSA-N
XLogP3.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylphenoxy)-N-(2-methoxyethyl)propan-2-amine;hydrochloride
CID 164623376
(2R)-1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 791949
1-(2,6-dimethylphenoxy)-N-(methyldisulfanyl)propan-2-amine
CID 123873902
4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide
CID 57406374
(2S)-1-(2,6-dimethylphenoxy)-N-[(2R)-1-methylsulfanylpropan-2-yl]propan-2-amine
CID 29185170
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]benzene-1,2-diol
CID 61319932
(2S)-2-[(2,4-dimethylphenyl)methylamino]propan-1-ol
CID 93083054
1-methoxy-3-[2-methyl-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 112610151
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol?
The IUPAC name of 4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol (CID 154293531) is 4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol.
What is the SMILES notation for 4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol?
The canonical SMILES for 4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol is Cc1cc(O)ccc1CNC(C)COc1c(C)cccc1C.
What is the InChIKey of 4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol?
The InChIKey is ABAKJKROABYMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13-6-5-7-14(2)19(13)22-12-16(4)20-11-17-8-9-18(21)10-15(17)3/h5-10,16,20-21H,11-12H2,1-4H3.
What are the key properties of 4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol?
4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol has a molecular weight of 299.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,6-dimethylphenoxy)propan-2-ylamino]methyl]-3-methylphenol is sourced from PubChem (CID 154293531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).