(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol

C15H18N2O — CID 114982552

IUPAC(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
SMILESC[C@H](CO)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C15H18N2O/c1-12(11-18)17-15(13-5-3-2-4-6-13)14-7-9-16-10-8-14/h2-10,12,15,17-18H,11H2,1H3/t12-,15?/m1/s1
InChIKeySSYLROQKNAKNLH-KEKZHRQWSA-N
MW242.32 g/mol
LogP2.14
Rot. Bonds5

About (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol

(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol (PubChem CID 114982552) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
PubChem CID114982552
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol
SMILESC[C@H](CO)NC(c1ccccc1)c1ccncc1
InChIInChI=1S/C15H18N2O/c1-12(11-18)17-15(13-5-3-2-4-6-13)14-7-9-16-10-8-14/h2-10,12,15,17-18H,11H2,1H3/t12-,15?/m1/s1
InChIKeySSYLROQKNAKNLH-KEKZHRQWSA-N
XLogP2.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzhydrylamino)propan-1-ol
CID 43499566
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
2-[[(3-methylphenyl)-phenylmethyl]amino]propan-1-ol
CID 144917101
(2R)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propan-1-ol
CID 114982550
4-methylsulfinyl-N-[phenyl(pyridin-4-yl)methyl]butan-2-amine
CID 115972889
1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 43608190
(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 113357070
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
(1S)-N-[phenyl(pyridin-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81388446
(3R)-3-(benzhydrylamino)butanoic acid
CID 69229544
4-benzhydrylpyridine;ethane
CID 90843990
(2S)-2-[(2-methylsulfanyl-1-phenylethyl)amino]propan-1-ol
CID 103789127

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol (CID 114982552) is (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol is C[C@H](CO)NC(c1ccccc1)c1ccncc1.
What is the InChIKey of (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol?
The InChIKey is SSYLROQKNAKNLH-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(11-18)17-15(13-5-3-2-4-6-13)14-7-9-16-10-8-14/h2-10,12,15,17-18H,11H2,1H3/t12-,15?/m1/s1.
What are the key properties of (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol?
(2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[phenyl(pyridin-4-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 114982552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).