[2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol

C19H25NO2 — CID 88794834

IUPAC[2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol
SMILESCc1ccccc1Oc1ccc(CO)c(CNC(C)(C)C)c1
InChIInChI=1S/C19H25NO2/c1-14-7-5-6-8-18(14)22-17-10-9-15(13-21)16(11-17)12-20-19(2,3)4/h5-11,20-21H,12-13H2,1-4H3
InChIKeyIWAHCSMKJKLFCB-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.17
Rot. Bonds5

About [2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol

[2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol (PubChem CID 88794834) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is [2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol
PubChem CID88794834
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name[2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol
SMILESCc1ccccc1Oc1ccc(CO)c(CNC(C)(C)C)c1
InChIInChI=1S/C19H25NO2/c1-14-7-5-6-8-18(14)22-17-10-9-15(13-21)16(11-17)12-20-19(2,3)4/h5-11,20-21H,12-13H2,1-4H3
InChIKeyIWAHCSMKJKLFCB-UHFFFAOYSA-N
XLogP4.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550509
[4-(2-tert-butylphenoxy)-2-methylphenyl]methanol
CID 63540635
N-[(4-chloro-2-phenoxyphenyl)methyl]-2-methylpropan-2-amine
CID 114855696
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311
2-methyl-N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075329
N-[[2-(4-methoxyphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63069839
[4-(2-methoxyphenoxy)-2-methylphenyl]methanol
CID 62136414
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 102990008
N-[[4-(2,3-dimethylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63551807
N-[[4-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114856965

Frequently Asked Questions

What is the IUPAC name of [2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol?
The IUPAC name of [2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol (CID 88794834) is [2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol.
What is the SMILES notation for [2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol?
The canonical SMILES for [2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol is Cc1ccccc1Oc1ccc(CO)c(CNC(C)(C)C)c1.
What is the InChIKey of [2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol?
The InChIKey is IWAHCSMKJKLFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-14-7-5-6-8-18(14)22-17-10-9-15(13-21)16(11-17)12-20-19(2,3)4/h5-11,20-21H,12-13H2,1-4H3.
What are the key properties of [2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol?
[2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol has a molecular weight of 299.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(tert-butylamino)methyl]-4-(2-methylphenoxy)phenyl]methanol is sourced from PubChem (CID 88794834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).