(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine

C14H15FN2O2 — CID 105026161

IUPAC(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C14H15FN2O2/c1-18-11-5-10(7-17-8-11)14(16)9-3-4-13(19-2)12(15)6-9/h3-8,14H,16H2,1-2H3
InChIKeyPKHUNILVKBLAIP-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.29
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine

(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine (PubChem CID 105026161) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
PubChem CID105026161
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine
SMILESCOc1cncc(C(N)c2ccc(OC)c(F)c2)c1
InChIInChI=1S/C14H15FN2O2/c1-18-11-5-10(7-17-8-11)14(16)9-3-4-13(19-2)12(15)6-9/h3-8,14H,16H2,1-2H3
InChIKeyPKHUNILVKBLAIP-UHFFFAOYSA-N
XLogP2.29
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474213
(3,4-dimethylphenyl)-(5-methoxy-3-pyridinyl)methanamine
CID 105025843
(5-methoxy-3-pyridinyl)-(2,4,6-trifluorophenyl)methanamine
CID 105026146
(3-bromo-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027469
(4-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474116
1,3-dihydro-2-benzofuran-5-yl-(5-methoxy-3-pyridinyl)methanamine
CID 105026056
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027423
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(4-methoxy-3-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297303
(3-bromophenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 43474225
(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026649

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine (CID 105026161) is (3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine is COc1cncc(C(N)c2ccc(OC)c(F)c2)c1.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine?
The InChIKey is PKHUNILVKBLAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-18-11-5-10(7-17-8-11)14(16)9-3-4-13(19-2)12(15)6-9/h3-8,14H,16H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine?
(3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine has a molecular weight of 262.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(5-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).