2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol

C15H16N2O — CID 68575026

IUPAC2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol
SMILESOc1cccnc1CN[C@H]1CC1c1ccccc1
InChIInChI=1S/C15H16N2O/c18-15-7-4-8-16-14(15)10-17-13-9-12(13)11-5-2-1-3-6-11/h1-8,12-13,17-18H,9-10H2/t12?,13-/m0/s1
InChIKeyPWFBATCZNVZOMS-ABLWVSNPSA-N
MW240.31 g/mol
LogP2.43
Rot. Bonds4

About 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol

2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol (PubChem CID 68575026) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol
PubChem CID68575026
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol
SMILESOc1cccnc1CN[C@H]1CC1c1ccccc1
InChIInChI=1S/C15H16N2O/c18-15-7-4-8-16-14(15)10-17-13-9-12(13)11-5-2-1-3-6-11/h1-8,12-13,17-18H,9-10H2/t12?,13-/m0/s1
InChIKeyPWFBATCZNVZOMS-ABLWVSNPSA-N
XLogP2.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol?
The IUPAC name of 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol (CID 68575026) is 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol is Oc1cccnc1CN[C@H]1CC1c1ccccc1.
What is the InChIKey of 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol?
The InChIKey is PWFBATCZNVZOMS-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15-7-4-8-16-14(15)10-17-13-9-12(13)11-5-2-1-3-6-11/h1-8,12-13,17-18H,9-10H2/t12?,13-/m0/s1.
What are the key properties of 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol?
2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol has a molecular weight of 240.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1S)-2-phenylcyclopropyl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 68575026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).