1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol

C15H23ClN2O — CID 62942655

IUPAC1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
SMILESCCNC(CCN1CCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-2-17-15(12-3-5-13(16)6-4-12)8-10-18-9-7-14(19)11-18/h3-6,14-15,17,19H,2,7-11H2,1H3
InChIKeyMONOKKQYCBONFO-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.45
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol

1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol (PubChem CID 62942655) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
PubChem CID62942655
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
SMILESCCNC(CCN1CCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c1-2-17-15(12-3-5-13(16)6-4-12)8-10-18-9-7-14(19)11-18/h3-6,14-15,17,19H,2,7-11H2,1H3
InChIKeyMONOKKQYCBONFO-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966955
2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol
CID 114800071
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442
1-(4-chlorophenyl)-N-ethyl-3-(3-methoxypiperidin-1-yl)propan-1-amine
CID 102967285
1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]piperidin-3-ol
CID 62642826
2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800165
1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62612332
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
1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
CID 114682044
N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol (CID 62942655) is 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol is CCNC(CCN1CCC(O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol?
The InChIKey is MONOKKQYCBONFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-17-15(12-3-5-13(16)6-4-12)8-10-18-9-7-14(19)11-18/h3-6,14-15,17,19H,2,7-11H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol?
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol has a molecular weight of 282.81 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 62942655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).