ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine

C15H19FN2O — CID 171626013

IUPACethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine
SMILESCC.COc1nc(-c2ccc(CN)cc2)ccc1F
InChIInChI=1S/C13H13FN2O.C2H6/c1-17-13-11(14)6-7-12(16-13)10-4-2-9(8-15)3-5-10;1-2/h2-7H,8,15H2,1H3;1-2H3
InChIKeyKNCPTYCGZHEHGE-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.38
Rot. Bonds3

About ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine

ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine (PubChem CID 171626013) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine.

Molecular Properties

Compound Nameethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine
PubChem CID171626013
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Nameethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine
SMILESCC.COc1nc(-c2ccc(CN)cc2)ccc1F
InChIInChI=1S/C13H13FN2O.C2H6/c1-17-13-11(14)6-7-12(16-13)10-4-2-9(8-15)3-5-10;1-2/h2-7H,8,15H2,1H3;1-2H3
InChIKeyKNCPTYCGZHEHGE-UHFFFAOYSA-N
XLogP3.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-methoxy-6-phenylpyridine
CID 133095533
6-(4-chlorophenyl)-2-methoxypyridin-3-amine
CID 105495503
[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine
CID 67244915
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
[6-(2-fluorophenyl)-2-methoxy-3-pyridinyl]methanamine
CID 84695528
[4-(2-fluoro-4-methoxyphenyl)phenyl]methanamine
CID 61034326
2-amino-1-(5-fluoro-6-methoxy-2-pyridinyl)ethanone
CID 84659449
[4-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 82788931
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
N-[6-[4-(aminomethyl)phenyl]-2-methoxy-3-pyridinyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 166108645
ethane;(4-fluorophenyl)methanamine
CID 142071105

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine?
The IUPAC name of ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine (CID 171626013) is ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine.
What is the SMILES notation for ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine?
The canonical SMILES for ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine is CC.COc1nc(-c2ccc(CN)cc2)ccc1F.
What is the InChIKey of ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine?
The InChIKey is KNCPTYCGZHEHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O.C2H6/c1-17-13-11(14)6-7-12(16-13)10-4-2-9(8-15)3-5-10;1-2/h2-7H,8,15H2,1H3;1-2H3.
What are the key properties of ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine?
ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine has a molecular weight of 262.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(5-fluoro-6-methoxy-2-pyridinyl)phenyl]methanamine is sourced from PubChem (CID 171626013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).