(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride

C9H13ClF2N2O — CID 171313628

IUPAC(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride
SMILESCOc1ccc([C@H](N)CC(F)F)cn1.Cl
InChIInChI=1S/C9H12F2N2O.ClH/c1-14-9-3-2-6(5-13-9)7(12)4-8(10)11;/h2-3,5,7-8H,4,12H2,1H3;1H/t7-;/m1./s1
InChIKeyPTTOMVWUZFUMMU-OGFXRTJISA-N
MW238.67 g/mol
LogP2.17
Rot. Bonds4

About (1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride

(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride (PubChem CID 171313628) has the molecular formula C9H13ClF2N2O and a molecular weight of 238.67 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride
PubChem CID171313628
Molecular FormulaC9H13ClF2N2O
Molecular Weight238.67 g/mol
Exact Mass238.07
IUPAC Name(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride
SMILESCOc1ccc([C@H](N)CC(F)F)cn1.Cl
InChIInChI=1S/C9H12F2N2O.ClH/c1-14-9-3-2-6(5-13-9)7(12)4-8(10)11;/h2-3,5,7-8H,4,12H2,1H3;1H/t7-;/m1./s1
InChIKeyPTTOMVWUZFUMMU-OGFXRTJISA-N
XLogP2.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
CID 112693379
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203596
(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
CID 171203601
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
2-methoxy-5-pentan-3-ylpyridine
CID 123545685
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)-2,2-dimethylpropan-1-ol
CID 171247598
2-amino-1-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114937489

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride (CID 171313628) is (1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride is COc1ccc([C@H](N)CC(F)F)cn1.Cl.
What is the InChIKey of (1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride?
The InChIKey is PTTOMVWUZFUMMU-OGFXRTJISA-N. The full InChI is InChI=1S/C9H12F2N2O.ClH/c1-14-9-3-2-6(5-13-9)7(12)4-8(10)11;/h2-3,5,7-8H,4,12H2,1H3;1H/t7-;/m1./s1.
What are the key properties of (1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride?
(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride has a molecular weight of 238.67 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171313628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).