3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine

C16H19N3O — CID 68927149

IUPAC3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine
SMILESNc1ncccc1-c1ccccc1CO[C@H]1CCNC1
InChIInChI=1S/C16H19N3O/c17-16-15(6-3-8-19-16)14-5-2-1-4-12(14)11-20-13-7-9-18-10-13/h1-6,8,13,18H,7,9-11H2,(H2,17,19)/t13-/m0/s1
InChIKeyUHMQHYLWBNVRRO-ZDUSSCGKSA-N
MW269.35 g/mol
LogP2.21
Rot. Bonds4

About 3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine

3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine (PubChem CID 68927149) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine
PubChem CID68927149
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine
SMILESNc1ncccc1-c1ccccc1CO[C@H]1CCNC1
InChIInChI=1S/C16H19N3O/c17-16-15(6-3-8-19-16)14-5-2-1-4-12(14)11-20-13-7-9-18-10-13/h1-6,8,13,18H,7,9-11H2,(H2,17,19)/t13-/m0/s1
InChIKeyUHMQHYLWBNVRRO-ZDUSSCGKSA-N
XLogP2.21
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine?
The IUPAC name of 3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine (CID 68927149) is 3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine is Nc1ncccc1-c1ccccc1CO[C@H]1CCNC1.
What is the InChIKey of 3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine?
The InChIKey is UHMQHYLWBNVRRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O/c17-16-15(6-3-8-19-16)14-5-2-1-4-12(14)11-20-13-7-9-18-10-13/h1-6,8,13,18H,7,9-11H2,(H2,17,19)/t13-/m0/s1.
What are the key properties of 3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine?
3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 68927149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).