2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol

C14H23NO2 — CID 115133196

IUPAC2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol
SMILESCOc1cc(C)c(NC(C)(C)CO)c(C)c1C
InChIInChI=1S/C14H23NO2/c1-9-7-12(17-6)10(2)11(3)13(9)15-14(4,5)8-16/h7,15-16H,8H2,1-6H3
InChIKeyKDDGPCDIRWWSQR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol

2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol (PubChem CID 115133196) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol
PubChem CID115133196
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol
SMILESCOc1cc(C)c(NC(C)(C)CO)c(C)c1C
InChIInChI=1S/C14H23NO2/c1-9-7-12(17-6)10(2)11(3)13(9)15-14(4,5)8-16/h7,15-16H,8H2,1-6H3
InChIKeyKDDGPCDIRWWSQR-UHFFFAOYSA-N
XLogP2.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-4-methoxy-2-methylanilino)-2-methylpropan-1-ol
CID 115133125
4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
CID 115217429
(4-methoxy-2,3,6-trimethylanilino)methanethiol
CID 115227686
N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
CID 115225481
2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852374
N-(4-methoxy-2,3,6-trimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 115206306
3-(4-methoxy-2,3,6-trimethylanilino)-3-oxopropanoic acid
CID 115163267
2-[(4-methoxy-3,5-dimethylphenyl)methylamino]-2-methylpropan-1-ol
CID 111112626
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methoxy-2,3,6-trimethylaniline
CID 115243925
2-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133609
2-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)propanamide
CID 115140443
(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol (CID 115133196) is 2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol is COc1cc(C)c(NC(C)(C)CO)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol?
The InChIKey is KDDGPCDIRWWSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-9-7-12(17-6)10(2)11(3)13(9)15-14(4,5)8-16/h7,15-16H,8H2,1-6H3.
What are the key properties of 2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol?
2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol is sourced from PubChem (CID 115133196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).