2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine

C9H12F2N2O — CID 130650453

IUPAC2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
SMILESCOc1cccnc1C(N)C(C)(F)F
InChIInChI=1S/C9H12F2N2O/c1-9(10,11)8(12)7-6(14-2)4-3-5-13-7/h3-5,8H,12H2,1-2H3
InChIKeyCJHDUMFWMILYJF-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.75
Rot. Bonds3

About 2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine

2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine (PubChem CID 130650453) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
PubChem CID130650453
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
SMILESCOc1cccnc1C(N)C(C)(F)F
InChIInChI=1S/C9H12F2N2O/c1-9(10,11)8(12)7-6(14-2)4-3-5-13-7/h3-5,8H,12H2,1-2H3
InChIKeyCJHDUMFWMILYJF-UHFFFAOYSA-N
XLogP1.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 114054015
(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114053803
2-(dichloromethyl)-3-methoxypyridine
CID 141354456
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
2-(diethoxymethyl)-3-methoxypyridine
CID 121221666
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
2-(2-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 78018930
(3-bromo-2-fluorophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054772
3-amino-2-(3-methoxy-2-pyridinyl)butan-2-ol
CID 130574391
(2,5-dimethylphenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054595

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine?
The IUPAC name of 2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine (CID 130650453) is 2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine is COc1cccnc1C(N)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine?
The InChIKey is CJHDUMFWMILYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-9(10,11)8(12)7-6(14-2)4-3-5-13-7/h3-5,8H,12H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine?
2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine has a molecular weight of 202.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 130650453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).