(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol

C10H16N2O2 — CID 106931879

IUPAC(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
SMILESCOc1ncccc1CNC[C@H](C)O
InChIInChI=1S/C10H16N2O2/c1-8(13)6-11-7-9-4-3-5-12-10(9)14-2/h3-5,8,11,13H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyORRHYEUHCBZDLP-QMMMGPOBSA-N
MW196.25 g/mol
LogP0.56
Rot. Bonds5

About (2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol

(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol (PubChem CID 106931879) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
PubChem CID106931879
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
SMILESCOc1ncccc1CNC[C@H](C)O
InChIInChI=1S/C10H16N2O2/c1-8(13)6-11-7-9-4-3-5-12-10(9)14-2/h3-5,8,11,13H,6-7H2,1-2H3/t8-/m0/s1
InChIKeyORRHYEUHCBZDLP-QMMMGPOBSA-N
XLogP0.56
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
5-[(2-methoxy-3-pyridinyl)methylamino]pentan-2-ol
CID 106130584
1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 63933376
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876007
1-(2,5-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60910476
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 60860137
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutan-2-amine
CID 93316993
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
2-N-[(2-methoxy-3-pyridinyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939229
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol (CID 106931879) is (2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol is COc1ncccc1CNC[C@H](C)O.
What is the InChIKey of (2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol?
The InChIKey is ORRHYEUHCBZDLP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(13)6-11-7-9-4-3-5-12-10(9)14-2/h3-5,8,11,13H,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol?
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol is sourced from PubChem (CID 106931879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).