(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine

C9H14N2O — CID 96849754

IUPAC(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
SMILESCOc1cc(C[C@H](C)N)ccn1
InChIInChI=1S/C9H14N2O/c1-7(10)5-8-3-4-11-9(6-8)12-2/h3-4,6-7H,5,10H2,1-2H3/t7-/m0/s1
InChIKeySKVWJPDXCHMUNI-ZETCQYMHSA-N
MW166.22 g/mol
LogP0.98
Rot. Bonds3

About (2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine

(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine (PubChem CID 96849754) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
PubChem CID96849754
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
SMILESCOc1cc(C[C@H](C)N)ccn1
InChIInChI=1S/C9H14N2O/c1-7(10)5-8-3-4-11-9(6-8)12-2/h3-4,6-7H,5,10H2,1-2H3/t7-/m0/s1
InChIKeySKVWJPDXCHMUNI-ZETCQYMHSA-N
XLogP0.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
(2-methoxy-4-pyridinyl)methylazanium
CID 25323729
methyl 2-formyl-3-(2-methoxy-4-pyridinyl)propanoate
CID 88621227
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
ethane;2-methoxy-4-(methoxymethyl)pyridine
CID 156724194
2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950454
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
4-[2-methoxy-2-[1-methoxy-2-(2-propan-2-yloxy-4-pyridinyl)ethoxy]ethyl]-2-propan-2-yloxypyridine
CID 69013905
2-(2-amino-4-pyridinyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347981

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine?
The IUPAC name of (2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine (CID 96849754) is (2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine.
What is the SMILES notation for (2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine?
The canonical SMILES for (2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine is COc1cc(C[C@H](C)N)ccn1.
What is the InChIKey of (2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine?
The InChIKey is SKVWJPDXCHMUNI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(10)5-8-3-4-11-9(6-8)12-2/h3-4,6-7H,5,10H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine?
(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine has a molecular weight of 166.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine is sourced from PubChem (CID 96849754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).