1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol

C15H23ClN2O — CID 112629124

IUPAC1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCC(N)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2O/c1-11(19)13-5-7-18(10-13)8-6-15(17)12-3-2-4-14(16)9-12/h2-4,9,11,13,15,19H,5-8,10,17H2,1H3
InChIKeyFKIYWFMWMAVBPG-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.43
Rot. Bonds5

About 1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol

1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol (PubChem CID 112629124) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
PubChem CID112629124
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCC(N)c2cccc(Cl)c2)C1
InChIInChI=1S/C15H23ClN2O/c1-11(19)13-5-7-18(10-13)8-6-15(17)12-3-2-4-14(16)9-12/h2-4,9,11,13,15,19H,5-8,10,17H2,1H3
InChIKeyFKIYWFMWMAVBPG-UHFFFAOYSA-N
XLogP2.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63972223
3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
1-(3-chlorophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-amine
CID 55098305
1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81115610
1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502679
3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62622896
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
1-[1-[3-amino-3-(2-bromophenyl)propyl]piperidin-4-yl]ethanol
CID 106837828
1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol
CID 62941921
1-[1-[2-(2,5-dichlorophenyl)sulfinylethyl]pyrrolidin-3-yl]ethanol
CID 110019804

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol (CID 112629124) is 1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CCC(N)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol?
The InChIKey is FKIYWFMWMAVBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(19)13-5-7-18(10-13)8-6-15(17)12-3-2-4-14(16)9-12/h2-4,9,11,13,15,19H,5-8,10,17H2,1H3.
What are the key properties of 1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol?
1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol has a molecular weight of 282.81 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112629124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).