3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol

C14H23NO2 — CID 115135188

IUPAC3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(N(C)CC(C)(C)CO)cc1C
InChIInChI=1S/C14H23NO2/c1-11-8-12(6-7-13(11)17-5)15(4)9-14(2,3)10-16/h6-8,16H,9-10H2,1-5H3
InChIKeyMKKXUBSWWHAGFX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.46
Rot. Bonds5

About 3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol

3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol (PubChem CID 115135188) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol
PubChem CID115135188
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol
SMILESCOc1ccc(N(C)CC(C)(C)CO)cc1C
InChIInChI=1S/C14H23NO2/c1-11-8-12(6-7-13(11)17-5)15(4)9-14(2,3)10-16/h6-8,16H,9-10H2,1-5H3
InChIKeyMKKXUBSWWHAGFX-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
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

3-(3-chloro-4-methoxy-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135194
2,2-dimethyl-3-[methyl-(6-methylnaphthalen-2-yl)amino]propan-1-ol
CID 115135288
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2,2-dimethyl-3-[methyl(naphthalen-2-yl)amino]propan-1-ol
CID 115135292
3-(5-bromo-2-methoxy-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135209
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205218
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
2-[(4-methoxy-N,3-dimethylanilino)methyl]butanoic acid
CID 115249788
N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252382
ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
CID 144692969
3-[(4-methoxy-N,3-dimethylanilino)methyl]oxetane-3-carboxylic acid
CID 115248353

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol (CID 115135188) is 3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol is COc1ccc(N(C)CC(C)(C)CO)cc1C.
What is the InChIKey of 3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is MKKXUBSWWHAGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-8-12(6-7-13(11)17-5)15(4)9-14(2,3)10-16/h6-8,16H,9-10H2,1-5H3.
What are the key properties of 3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol?
3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115135188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).