2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol

C17H27ClN2O — CID 114800071

IUPAC2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol
SMILESCCNC(CCN1CCC(CCO)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O/c1-2-19-17(15-3-5-16(18)6-4-15)8-11-20-10-7-14(13-20)9-12-21/h3-6,14,17,19,21H,2,7-13H2,1H3
InChIKeyCETPMSVBKVQQAC-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.09
Rot. Bonds8

About 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol

2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol (PubChem CID 114800071) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol
PubChem CID114800071
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol
SMILESCCNC(CCN1CCC(CCO)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2O/c1-2-19-17(15-3-5-16(18)6-4-15)8-11-20-10-7-14(13-20)9-12-21/h3-6,14,17,19,21H,2,7-13H2,1H3
InChIKeyCETPMSVBKVQQAC-UHFFFAOYSA-N
XLogP3.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800165
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
CID 62942655
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966955
1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967285
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
N-ethyl-3-(3-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645008
1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
1-(3-chlorophenyl)-N-ethyl-3-(3-methoxypyrrolidin-1-yl)propan-1-amine
CID 103538970
N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
CID 63971237
2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800186
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol (CID 114800071) is 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol is CCNC(CCN1CCC(CCO)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol?
The InChIKey is CETPMSVBKVQQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-2-19-17(15-3-5-16(18)6-4-15)8-11-20-10-7-14(13-20)9-12-21/h3-6,14,17,19,21H,2,7-13H2,1H3.
What are the key properties of 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol?
2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol has a molecular weight of 310.87 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114800071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).