(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine

C14H16N2O2 — CID 61075245

IUPAC(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
SMILESCOc1cc(CN)c(-c2ccncc2)cc1OC
InChIInChI=1S/C14H16N2O2/c1-17-13-7-11(9-15)12(8-14(13)18-2)10-3-5-16-6-4-10/h3-8H,9,15H2,1-2H3
InChIKeyLLBDLPYSVGHPOU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.22
Rot. Bonds4

About (4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine

(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine (PubChem CID 61075245) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine.

Molecular Properties

Compound Name(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
PubChem CID61075245
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine
SMILESCOc1cc(CN)c(-c2ccncc2)cc1OC
InChIInChI=1S/C14H16N2O2/c1-17-13-7-11(9-15)12(8-14(13)18-2)10-3-5-16-6-4-10/h3-8H,9,15H2,1-2H3
InChIKeyLLBDLPYSVGHPOU-UHFFFAOYSA-N
XLogP2.22
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
[2-(4-ethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 61033908
[2-(3-fluoro-4-pyridinyl)-4,5-dimethoxyphenyl]methanamine
CID 104738859
[4,5-dimethoxy-2-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61241607
[4,5-dimethoxy-2-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 54980067
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627
[4,5-dimethoxy-2-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 105350062
[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62548525
[2-(2-ethoxyphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62800398
[4-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]methanamine
CID 81251189
[2-(2-chloro-4,5-difluorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 107476915
[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine
CID 82480620

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine?
The IUPAC name of (4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine (CID 61075245) is (4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine.
What is the SMILES notation for (4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine?
The canonical SMILES for (4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine is COc1cc(CN)c(-c2ccncc2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine?
The InChIKey is LLBDLPYSVGHPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13-7-11(9-15)12(8-14(13)18-2)10-3-5-16-6-4-10/h3-8H,9,15H2,1-2H3.
What are the key properties of (4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine?
(4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine has a molecular weight of 244.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-pyridin-4-ylphenyl)methanamine is sourced from PubChem (CID 61075245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).