[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol

C15H23NO2 — CID 64500267

IUPAC[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
SMILESCCOc1ccc(NC2CCC(C)C2)cc1CO
InChIInChI=1S/C15H23NO2/c1-3-18-15-7-6-14(9-12(15)10-17)16-13-5-4-11(2)8-13/h6-7,9,11,13,16-17H,3-5,8,10H2,1-2H3
InChIKeyRZDBFYGHNWGWBL-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.18
Rot. Bonds5

About [2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol

[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol (PubChem CID 64500267) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
PubChem CID64500267
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
SMILESCCOc1ccc(NC2CCC(C)C2)cc1CO
InChIInChI=1S/C15H23NO2/c1-3-18-15-7-6-14(9-12(15)10-17)16-13-5-4-11(2)8-13/h6-7,9,11,13,16-17H,3-5,8,10H2,1-2H3
InChIKeyRZDBFYGHNWGWBL-UHFFFAOYSA-N
XLogP3.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.18
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

4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
CID 62708979
[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol
CID 79730547
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
CID 64851150
[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol
CID 79860686
N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 111629887
3-chloro-4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104860046
3-ethoxy-4-methoxy-N-(3-methylcyclobutyl)aniline
CID 104860047
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
3-N-(4-ethoxy-3-methoxyphenyl)cyclopentane-1,3-diamine
CID 79461999
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-methyloxolane-2-carboxamide
CID 81329971

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol (CID 64500267) is [2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol is CCOc1ccc(NC2CCC(C)C2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol?
The InChIKey is RZDBFYGHNWGWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-15-7-6-14(9-12(15)10-17)16-13-5-4-11(2)8-13/h6-7,9,11,13,16-17H,3-5,8,10H2,1-2H3.
What are the key properties of [2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol?
[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol has a molecular weight of 249.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol is sourced from PubChem (CID 64500267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).