3-phenyl-2-(pyridin-4-ylamino)propan-1-ol

C14H16N2O — CID 55169769

IUPAC3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
SMILESOCC(Cc1ccccc1)Nc1ccncc1
InChIInChI=1S/C14H16N2O/c17-11-14(10-12-4-2-1-3-5-12)16-13-6-8-15-9-7-13/h1-9,14,17H,10-11H2,(H,15,16)
InChIKeyFEGPGBAHPNSLNZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.10
Rot. Bonds5

About 3-phenyl-2-(pyridin-4-ylamino)propan-1-ol

3-phenyl-2-(pyridin-4-ylamino)propan-1-ol (PubChem CID 55169769) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-phenyl-2-(pyridin-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
PubChem CID55169769
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
SMILESOCC(Cc1ccccc1)Nc1ccncc1
InChIInChI=1S/C14H16N2O/c17-11-14(10-12-4-2-1-3-5-12)16-13-6-8-15-9-7-13/h1-9,14,17H,10-11H2,(H,15,16)
InChIKeyFEGPGBAHPNSLNZ-UHFFFAOYSA-N
XLogP2.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-3-phenylpropan-1-ol
CID 61049860
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
4-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]benzonitrile
CID 133328023
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261023
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80830612
3-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
CID 63260593
2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 79916251
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63260770
N-(2-chloro-4-pyridinyl)-N'-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxamide
CID 51824206

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(pyridin-4-ylamino)propan-1-ol?
The IUPAC name of 3-phenyl-2-(pyridin-4-ylamino)propan-1-ol (CID 55169769) is 3-phenyl-2-(pyridin-4-ylamino)propan-1-ol.
What is the SMILES notation for 3-phenyl-2-(pyridin-4-ylamino)propan-1-ol?
The canonical SMILES for 3-phenyl-2-(pyridin-4-ylamino)propan-1-ol is OCC(Cc1ccccc1)Nc1ccncc1.
What is the InChIKey of 3-phenyl-2-(pyridin-4-ylamino)propan-1-ol?
The InChIKey is FEGPGBAHPNSLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-11-14(10-12-4-2-1-3-5-12)16-13-6-8-15-9-7-13/h1-9,14,17H,10-11H2,(H,15,16).
What are the key properties of 3-phenyl-2-(pyridin-4-ylamino)propan-1-ol?
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol has a molecular weight of 228.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(pyridin-4-ylamino)propan-1-ol is sourced from PubChem (CID 55169769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).