1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol

C14H22N2O — CID 55130210

IUPAC1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
SMILESCCNC(C)c1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C14H22N2O/c1-3-15-11(2)12-4-6-13(7-5-12)16-9-8-14(17)10-16/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyCBKZFJAPOQJCCA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.93
Rot. Bonds4

About 1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol

1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol (PubChem CID 55130210) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
PubChem CID55130210
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
SMILESCCNC(C)c1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C14H22N2O/c1-3-15-11(2)12-4-6-13(7-5-12)16-9-8-14(17)10-16/h4-7,11,14-15,17H,3,8-10H2,1-2H3
InChIKeyCBKZFJAPOQJCCA-UHFFFAOYSA-N
XLogP1.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958936
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590380
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63532857
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
1-[4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-ol
CID 62943393
1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 43284244
1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
CID 43284297
1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122376
2-[1-[4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 114798062
1-(4-pentan-2-ylphenyl)piperidin-4-ol
CID 166926420
1-[2-bromo-4-[1-(ethylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958895
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61407251

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol (CID 55130210) is 1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol is CCNC(C)c1ccc(N2CCC(O)C2)cc1.
What is the InChIKey of 1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol?
The InChIKey is CBKZFJAPOQJCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-15-11(2)12-4-6-13(7-5-12)16-9-8-14(17)10-16/h4-7,11,14-15,17H,3,8-10H2,1-2H3.
What are the key properties of 1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol?
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol has a molecular weight of 234.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 55130210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).