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

C18H30N2O — CID 114800165

IUPAC2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
SMILESCCNC(CCN1CCC(CCO)C1)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O/c1-3-19-18(17-6-4-15(2)5-7-17)9-12-20-11-8-16(14-20)10-13-21/h4-7,16,18-19,21H,3,8-14H2,1-2H3
InChIKeyROOODXUZNIRRQV-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.74
Rot. Bonds8

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

2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol (PubChem CID 114800165) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
PubChem CID114800165
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol
SMILESCCNC(CCN1CCC(CCO)C1)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O/c1-3-19-18(17-6-4-15(2)5-7-17)9-12-20-11-8-16(14-20)10-13-21/h4-7,16,18-19,21H,3,8-14H2,1-2H3
InChIKeyROOODXUZNIRRQV-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-yl]ethanol
CID 114800071
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
CID 62942655
3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 113418919
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966955
N-ethyl-3-(3-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645008
N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 62617686
N-ethyl-3-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpropan-1-amine
CID 63971237
[1-[3-(ethylamino)-3-(2-methylphenyl)propyl]piperidin-4-yl]methanol
CID 62630396
2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800186
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol (CID 114800165) is 2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol is CCNC(CCN1CCC(CCO)C1)c1ccc(C)cc1.
What is the InChIKey of 2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ROOODXUZNIRRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-19-18(17-6-4-15(2)5-7-17)9-12-20-11-8-16(14-20)10-13-21/h4-7,16,18-19,21H,3,8-14H2,1-2H3.
What are the key properties of 2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol?
2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(ethylamino)-3-(4-methylphenyl)propyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114800165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).