[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol

C16H25NO2 — CID 79860686

IUPAC[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NC2CCCC2(C)C)cc1CO
InChIInChI=1S/C16H25NO2/c1-4-19-14-8-7-13(10-12(14)11-18)17-15-6-5-9-16(15,2)3/h7-8,10,15,17-18H,4-6,9,11H2,1-3H3
InChIKeyPPUAFOYVJJGNTA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.57
Rot. Bonds5

About [5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol

[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol (PubChem CID 79860686) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol
PubChem CID79860686
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NC2CCCC2(C)C)cc1CO
InChIInChI=1S/C16H25NO2/c1-4-19-14-8-7-13(10-12(14)11-18)17-15-6-5-9-16(15,2)3/h7-8,10,15,17-18H,4-6,9,11H2,1-3H3
InChIKeyPPUAFOYVJJGNTA-UHFFFAOYSA-N
XLogP3.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.57
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

3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline
CID 79860269
[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
CID 64851150
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
CID 64500267
[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
CID 62708979
[3-[(2,2-dimethylcyclopentyl)amino]phenyl]methanol
CID 79859836
N-(2,2-dimethylcyclohexyl)-3-ethoxy-4-nitroaniline
CID 79870902
3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine
CID 80738185
[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol
CID 79730547
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
CID 79834976

Frequently Asked Questions

What is the IUPAC name of [5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol (CID 79860686) is [5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol is CCOc1ccc(NC2CCCC2(C)C)cc1CO.
What is the InChIKey of [5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol?
The InChIKey is PPUAFOYVJJGNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-19-14-8-7-13(10-12(14)11-18)17-15-6-5-9-16(15,2)3/h7-8,10,15,17-18H,4-6,9,11H2,1-3H3.
What are the key properties of [5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol?
[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 79860686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).