N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine

C15H18N2O — CID 97323498

IUPACN-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine
SMILESCOC[C@H](Cc1ccccc1)Nc1cccnc1
InChIInChI=1S/C15H18N2O/c1-18-12-15(10-13-6-3-2-4-7-13)17-14-8-5-9-16-11-14/h2-9,11,15,17H,10,12H2,1H3/t15-/m0/s1
InChIKeyILHRKVLYPGMUFU-HNNXBMFYSA-N
MW242.32 g/mol
LogP2.75
Rot. Bonds6

About N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine (PubChem CID 97323498) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine
PubChem CID97323498
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine
SMILESCOC[C@H](Cc1ccccc1)Nc1cccnc1
InChIInChI=1S/C15H18N2O/c1-18-12-15(10-13-6-3-2-4-7-13)17-14-8-5-9-16-11-14/h2-9,11,15,17H,10,12H2,1H3/t15-/m0/s1
InChIKeyILHRKVLYPGMUFU-HNNXBMFYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine?
The IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine (CID 97323498) is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine.
What is the SMILES notation for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine?
The canonical SMILES for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine is COC[C@H](Cc1ccccc1)Nc1cccnc1.
What is the InChIKey of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine?
The InChIKey is ILHRKVLYPGMUFU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-12-15(10-13-6-3-2-4-7-13)17-14-8-5-9-16-11-14/h2-9,11,15,17H,10,12H2,1H3/t15-/m0/s1.
What are the key properties of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine?
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine has a molecular weight of 242.32 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]pyridin-3-amine is sourced from PubChem (CID 97323498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).