[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol

C14H23NO2 — CID 61324347

IUPAC[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCC(C)(C)C)cc1CO
InChIInChI=1S/C14H23NO2/c1-5-17-13-7-6-12(8-11(13)9-16)15-10-14(2,3)4/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyVXQGUPAHRFZUAQ-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.04
Rot. Bonds5

About [5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol

[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol (PubChem CID 61324347) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
PubChem CID61324347
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCC(C)(C)C)cc1CO
InChIInChI=1S/C14H23NO2/c1-5-17-13-7-6-12(8-11(13)9-16)15-10-14(2,3)4/h6-8,15-16H,5,9-10H2,1-4H3
InChIKeyVXQGUPAHRFZUAQ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
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

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60981003
[5-[[2-(aminomethyl)-3-methylbutyl]amino]-2-ethoxyphenyl]methanol
CID 107441950
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol?
The IUPAC name of [5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol (CID 61324347) is [5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol is CCOc1ccc(NCC(C)(C)C)cc1CO.
What is the InChIKey of [5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol?
The InChIKey is VXQGUPAHRFZUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-17-13-7-6-12(8-11(13)9-16)15-10-14(2,3)4/h6-8,15-16H,5,9-10H2,1-4H3.
What are the key properties of [5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol?
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol has a molecular weight of 237.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol is sourced from PubChem (CID 61324347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).