[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol

C14H23NO2 — CID 115229682

IUPAC[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
SMILESCOc1cc(C)cc(C)c1C(C)(C)CNCO
InChIInChI=1S/C14H23NO2/c1-10-6-11(2)13(12(7-10)17-5)14(3,4)8-15-9-16/h6-7,15-16H,8-9H2,1-5H3
InChIKeyFXTSQPKUBNSPTG-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.13
Rot. Bonds5

About [[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol

[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol (PubChem CID 115229682) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol.

Molecular Properties

Compound Name[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
PubChem CID115229682
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
SMILESCOc1cc(C)cc(C)c1C(C)(C)CNCO
InChIInChI=1S/C14H23NO2/c1-10-6-11(2)13(12(7-10)17-5)14(3,4)8-15-9-16/h6-7,15-16H,8-9H2,1-5H3
InChIKeyFXTSQPKUBNSPTG-UHFFFAOYSA-N
XLogP2.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]carbamoyl chloride
CID 115195188
1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea
CID 115169613
1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
CID 115235277
N-(bromomethyl)-2-methyl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 115262537
N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]methanediamine
CID 115226366
2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene
CID 106681366
2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
CID 115136351
N-methyl-N'-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196167
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
CID 115171394
(2S)-2-amino-2-(2-methoxy-4,6-dimethylphenyl)propanoic acid
CID 165354727
N-(bromomethyl)-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylpropan-1-amine
CID 115262572

Frequently Asked Questions

What is the IUPAC name of [[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol?
The IUPAC name of [[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol (CID 115229682) is [[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol.
What is the SMILES notation for [[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol?
The canonical SMILES for [[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol is COc1cc(C)cc(C)c1C(C)(C)CNCO.
What is the InChIKey of [[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol?
The InChIKey is FXTSQPKUBNSPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-6-11(2)13(12(7-10)17-5)14(3,4)8-15-9-16/h6-7,15-16H,8-9H2,1-5H3.
What are the key properties of [[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol?
[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol has a molecular weight of 237.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol is sourced from PubChem (CID 115229682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).