2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol

C16H25ClN2O — CID 114798135

IUPAC2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
SMILESCCNC(C)c1ccc(N2CCC(CCO)C2)cc1Cl
InChIInChI=1S/C16H25ClN2O/c1-3-18-12(2)15-5-4-14(10-16(15)17)19-8-6-13(11-19)7-9-20/h4-5,10,12-13,18,20H,3,6-9,11H2,1-2H3
InChIKeySSBUETMYIQRLLA-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.22
Rot. Bonds6

About 2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol

2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol (PubChem CID 114798135) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
PubChem CID114798135
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
SMILESCCNC(C)c1ccc(N2CCC(CCO)C2)cc1Cl
InChIInChI=1S/C16H25ClN2O/c1-3-18-12(2)15-5-4-14(10-16(15)17)19-8-6-13(11-19)7-9-20/h4-5,10,12-13,18,20H,3,6-9,11H2,1-2H3
InChIKeySSBUETMYIQRLLA-UHFFFAOYSA-N
XLogP3.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-chloro-4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 115965439
1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959054
2-[1-[4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 114798062
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958882
[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
CID 112625992
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
2-[1-(2,4-dichlorophenyl)ethylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 78896351
1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202367

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol (CID 114798135) is 2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol is CCNC(C)c1ccc(N2CCC(CCO)C2)cc1Cl.
What is the InChIKey of 2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is SSBUETMYIQRLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-18-12(2)15-5-4-14(10-16(15)17)19-8-6-13(11-19)7-9-20/h4-5,10,12-13,18,20H,3,6-9,11H2,1-2H3.
What are the key properties of 2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol?
2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 296.84 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114798135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).