1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol

C15H24N2O — CID 60901656

IUPAC1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCc1ccccc1NCC(O)CN1CCCC1
InChIInChI=1S/C15H24N2O/c1-2-13-7-3-4-8-15(13)16-11-14(18)12-17-9-5-6-10-17/h3-4,7-8,14,16,18H,2,5-6,9-12H2,1H3
InChIKeyYLGNBOSFMVMBDV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.12
Rot. Bonds6

About 1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol

1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 60901656) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID60901656
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCc1ccccc1NCC(O)CN1CCCC1
InChIInChI=1S/C15H24N2O/c1-2-13-7-3-4-8-15(13)16-11-14(18)12-17-9-5-6-10-17/h3-4,7-8,14,16,18H,2,5-6,9-12H2,1H3
InChIKeyYLGNBOSFMVMBDV-UHFFFAOYSA-N
XLogP2.12
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-(2-ethylanilino)propan-2-ol
CID 63934398
1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 82734995
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
1-morpholin-4-yl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898999
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807
1-(2-ethoxyethoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900499
(2R)-1-(4-methylpiperidin-1-yl)-3-(2-methylsulfonylanilino)propan-2-ol
CID 97023768
(2S)-1-amino-3-piperidin-1-ylpropan-2-ol;1,4-difluoroanthracene-9,10-dione;1-fluoro-4-[[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]amino]anthracene-9,10-dione;(2S)-1-piperidin-1-ylbutan-2-ol
CID 157062272
1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60898032
1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60896693
2-ethylsulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)aniline
CID 62994733

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol (CID 60901656) is 1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol is CCc1ccccc1NCC(O)CN1CCCC1.
What is the InChIKey of 1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is YLGNBOSFMVMBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-13-7-3-4-8-15(13)16-11-14(18)12-17-9-5-6-10-17/h3-4,7-8,14,16,18H,2,5-6,9-12H2,1H3.
What are the key properties of 1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 60901656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).