3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol

C17H21N3O — CID 43676485

IUPAC3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol
SMILESCC(Nc1cccnc1N1CCCC1)c1cccc(O)c1
InChIInChI=1S/C17H21N3O/c1-13(14-6-4-7-15(21)12-14)19-16-8-5-9-18-17(16)20-10-2-3-11-20/h4-9,12-13,19,21H,2-3,10-11H2,1H3
InChIKeyMXVBIGIQCJQEHK-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.56
Rot. Bonds4

About 3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol

3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol (PubChem CID 43676485) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol
PubChem CID43676485
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol
SMILESCC(Nc1cccnc1N1CCCC1)c1cccc(O)c1
InChIInChI=1S/C17H21N3O/c1-13(14-6-4-7-15(21)12-14)19-16-8-5-9-18-17(16)20-10-2-3-11-20/h4-9,12-13,19,21H,2-3,10-11H2,1H3
InChIKeyMXVBIGIQCJQEHK-UHFFFAOYSA-N
XLogP3.56
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol
CID 43684258
N-[1-(4-iodophenyl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43779579
2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol
CID 65338174
N-[1-(1H-pyrazol-5-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 54881297
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676363
3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol
CID 43192226
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922139
N-(1-cyclobutylpropan-2-yl)-2-pyrrolidin-1-ylpyridin-3-amine
CID 115922136
N-nonan-2-yl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676446
N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine
CID 107444893
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol?
The IUPAC name of 3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol (CID 43676485) is 3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol?
The canonical SMILES for 3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol is CC(Nc1cccnc1N1CCCC1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol?
The InChIKey is MXVBIGIQCJQEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(14-6-4-7-15(21)12-14)19-16-8-5-9-18-17(16)20-10-2-3-11-20/h4-9,12-13,19,21H,2-3,10-11H2,1H3.
What are the key properties of 3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol?
3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol has a molecular weight of 283.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol is sourced from PubChem (CID 43676485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).