1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol

C15H24N2O2 — CID 60896693

IUPAC1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCOc1ccc(NCC(O)CN2CCCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-2-19-15-7-5-13(6-8-15)16-11-14(18)12-17-9-3-4-10-17/h5-8,14,16,18H,2-4,9-12H2,1H3
InChIKeyMWSYJLJGLJIING-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.95
Rot. Bonds7

About 1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol

1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 60896693) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID60896693
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCOc1ccc(NCC(O)CN2CCCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-2-19-15-7-5-13(6-8-15)16-11-14(18)12-17-9-3-4-10-17/h5-8,14,16,18H,2-4,9-12H2,1H3
InChIKeyMWSYJLJGLJIING-UHFFFAOYSA-N
XLogP1.95
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-ethoxyanilino)-3-[(2R)-3-(4-ethoxyanilino)-2-hydroxypropyl]sulfanylpropan-2-ol
CID 7230989
1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807
1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60898599
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837
1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol
CID 66352154
1-(2,4-dimethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60898032
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
(2R,4R)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-ethoxyphenyl)pentane-1,5-dione
CID 97292408

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol (CID 60896693) is 1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol is CCOc1ccc(NCC(O)CN2CCCC2)cc1.
What is the InChIKey of 1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is MWSYJLJGLJIING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-19-15-7-5-13(6-8-15)16-11-14(18)12-17-9-3-4-10-17/h5-8,14,16,18H,2-4,9-12H2,1H3.
What are the key properties of 1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyanilino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 60896693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).