[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine

C14H15ClN2O — CID 107055950

IUPAC[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
SMILESCc1ccc(Oc2nccc(CN)c2Cl)cc1C
InChIInChI=1S/C14H15ClN2O/c1-9-3-4-12(7-10(9)2)18-14-13(15)11(8-16)5-6-17-14/h3-7H,8,16H2,1-2H3
InChIKeyQGMJNLYGRVOVJD-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.60
Rot. Bonds3

About [3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine

[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine (PubChem CID 107055950) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is [3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
PubChem CID107055950
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
SMILESCc1ccc(Oc2nccc(CN)c2Cl)cc1C
InChIInChI=1S/C14H15ClN2O/c1-9-3-4-12(7-10(9)2)18-14-13(15)11(8-16)5-6-17-14/h3-7H,8,16H2,1-2H3
InChIKeyQGMJNLYGRVOVJD-UHFFFAOYSA-N
XLogP3.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
CID 107055931
[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 107055933
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 107056201
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975
[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
CID 114264198
[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724784
(3-chloro-2-propoxy-4-pyridinyl)methanamine
CID 107056050
[3-chloro-2-(1-propylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 107056208
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine (CID 107055950) is [3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine is Cc1ccc(Oc2nccc(CN)c2Cl)cc1C.
What is the InChIKey of [3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine?
The InChIKey is QGMJNLYGRVOVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-3-4-12(7-10(9)2)18-14-13(15)11(8-16)5-6-17-14/h3-7H,8,16H2,1-2H3.
What are the key properties of [3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine?
[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine has a molecular weight of 262.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 107055950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).