3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol

C17H21N3O — CID 140995584

IUPAC3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol
SMILESOc1cccc(C2CCN(CCNc3ccccn3)C2)c1
InChIInChI=1S/C17H21N3O/c21-16-5-3-4-14(12-16)15-7-10-20(13-15)11-9-19-17-6-1-2-8-18-17/h1-6,8,12,15,21H,7,9-11,13H2,(H,18,19)
InChIKeyQZGFVROBSBEYQN-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.69
Rot. Bonds5

About 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol

3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol (PubChem CID 140995584) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol.

Molecular Properties

Compound Name3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol
PubChem CID140995584
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol
SMILESOc1cccc(C2CCN(CCNc3ccccn3)C2)c1
InChIInChI=1S/C17H21N3O/c21-16-5-3-4-14(12-16)15-7-10-20(13-15)11-9-19-17-6-1-2-8-18-17/h1-6,8,12,15,21H,7,9-11,13H2,(H,18,19)
InChIKeyQZGFVROBSBEYQN-UHFFFAOYSA-N
XLogP2.69
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
CID 139834918
N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
CID 70339719
[3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenyl] trifluoromethanesulfonate;[3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenyl] trifluoromethanesulfonate
CID 158152030
N'-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-1-carboximidamide
CID 111724285
3-[(3S)-1-butylpiperidin-3-yl]phenol
CID 12937975
3-[1-[2-[2-[3-(methylamino)-1-phenylpropoxy]anilino]ethyl]piperidin-4-yl]phenol
CID 146308929
N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidin-4-amine
CID 97139068
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 66864566
(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid
CID 177277698
N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridin-2-amine
CID 141285669

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol?
The IUPAC name of 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol (CID 140995584) is 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol.
What is the SMILES notation for 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol?
The canonical SMILES for 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol is Oc1cccc(C2CCN(CCNc3ccccn3)C2)c1.
What is the InChIKey of 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol?
The InChIKey is QZGFVROBSBEYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-16-5-3-4-14(12-16)15-7-10-20(13-15)11-9-19-17-6-1-2-8-18-17/h1-6,8,12,15,21H,7,9-11,13H2,(H,18,19).
What are the key properties of 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol?
3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol has a molecular weight of 283.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-3-yl]phenol is sourced from PubChem (CID 140995584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).