4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol

C17H28N2O — CID 116695306

IUPAC4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
SMILESCCC1CCN(CCC(CO)(NC)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-15-9-11-19(13-15)12-10-17(14-20,18-2)16-7-5-4-6-8-16/h4-8,15,18,20H,3,9-14H2,1-2H3
InChIKeyHPPYIOVWTFSWMF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.22
Rot. Bonds7

About 4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol

4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol (PubChem CID 116695306) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
PubChem CID116695306
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
SMILESCCC1CCN(CCC(CO)(NC)c2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-3-15-9-11-19(13-15)12-10-17(14-20,18-2)16-7-5-4-6-8-16/h4-8,15,18,20H,3,9-14H2,1-2H3
InChIKeyHPPYIOVWTFSWMF-UHFFFAOYSA-N
XLogP2.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylmorpholin-4-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695149
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol
CID 104961356
2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693918
3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)-2-phenylpropan-1-ol
CID 64790992
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371052
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)-2-phenylpropan-1-ol
CID 64827049
3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807326
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695380
4-cyclopentylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695614
4-cyclopentyloxy-2-(methylamino)-2-phenylbutan-1-ol
CID 116695498
1-benzyl-3-ethylpyrrolidine
CID 12648208

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol?
The IUPAC name of 4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol (CID 116695306) is 4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol is CCC1CCN(CCC(CO)(NC)c2ccccc2)C1.
What is the InChIKey of 4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol?
The InChIKey is HPPYIOVWTFSWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-15-9-11-19(13-15)12-10-17(14-20,18-2)16-7-5-4-6-8-16/h4-8,15,18,20H,3,9-14H2,1-2H3.
What are the key properties of 4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol?
4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).