[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol

C13H20N2O2 — CID 79730547

IUPAC[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol
SMILESCCOc1ccc(NC2CCNC2)cc1CO
InChIInChI=1S/C13H20N2O2/c1-2-17-13-4-3-11(7-10(13)9-16)15-12-5-6-14-8-12/h3-4,7,12,14-16H,2,5-6,8-9H2,1H3
InChIKeyHAQWLRVFIJATEA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.35
Rot. Bonds5

About [2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol

[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol (PubChem CID 79730547) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol
PubChem CID79730547
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol
SMILESCCOc1ccc(NC2CCNC2)cc1CO
InChIInChI=1S/C13H20N2O2/c1-2-17-13-4-3-11(7-10(13)9-16)15-12-5-6-14-8-12/h3-4,7,12,14-16H,2,5-6,8-9H2,1H3
InChIKeyHAQWLRVFIJATEA-UHFFFAOYSA-N
XLogP1.35
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(3-methylcyclopentyl)amino]phenyl]methanol
CID 64500267
[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
CID 62708979
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol
CID 79860686
(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine
CID 71052306
[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
CID 64851150
N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 111629887
N-(4-ethylphenyl)pyrrolidin-3-amine
CID 79724567
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
CID 155923260
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol?
The IUPAC name of [2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol (CID 79730547) is [2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol is CCOc1ccc(NC2CCNC2)cc1CO.
What is the InChIKey of [2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol?
The InChIKey is HAQWLRVFIJATEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-17-13-4-3-11(7-10(13)9-16)15-12-5-6-14-8-12/h3-4,7,12,14-16H,2,5-6,8-9H2,1H3.
What are the key properties of [2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol?
[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol is sourced from PubChem (CID 79730547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).