cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride

C10H15Cl2FN2O — CID 146457373

IUPACcyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride
SMILESCOc1cc(C(N)C2CC2)ncc1F.Cl.Cl
InChIInChI=1S/C10H13FN2O.2ClH/c1-14-9-4-8(13-5-7(9)11)10(12)6-2-3-6;;/h4-6,10H,2-3,12H2,1H3;2*1H
InChIKeyZECSCQHUXPDKHN-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.48
Rot. Bonds3

About cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride

cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride (PubChem CID 146457373) has the molecular formula C10H15Cl2FN2O and a molecular weight of 269.15 g/mol. Its IUPAC name is cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Namecyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride
PubChem CID146457373
Molecular FormulaC10H15Cl2FN2O
Molecular Weight269.15 g/mol
Exact Mass268.05
IUPAC Namecyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride
SMILESCOc1cc(C(N)C2CC2)ncc1F.Cl.Cl
InChIInChI=1S/C10H13FN2O.2ClH/c1-14-9-4-8(13-5-7(9)11)10(12)6-2-3-6;;/h4-6,10H,2-3,12H2,1H3;2*1H
InChIKeyZECSCQHUXPDKHN-UHFFFAOYSA-N
XLogP2.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487
(R)-cyclopropyl-(4-methoxy-2-pyridinyl)methanamine;hydrochloride
CID 146456184
4-[(R)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202408
4-[(S)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221960
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
cyclopropyl-(5-methyl-2-pyridinyl)methanamine;hydrochloride
CID 171338154
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
CID 10705693
(S)-cyclopropyl-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171234289

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride (CID 146457373) is cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride is COc1cc(C(N)C2CC2)ncc1F.Cl.Cl.
What is the InChIKey of cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride?
The InChIKey is ZECSCQHUXPDKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O.2ClH/c1-14-9-4-8(13-5-7(9)11)10(12)6-2-3-6;;/h4-6,10H,2-3,12H2,1H3;2*1H.
What are the key properties of cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride?
cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride has a molecular weight of 269.15 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-fluoro-4-methoxy-2-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 146457373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).