[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine

C15H17ClN2O — CID 107055933

IUPAC[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
SMILESCC(C)c1ccc(Oc2nccc(CN)c2Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-10(2)11-3-5-13(6-4-11)19-15-14(16)12(9-17)7-8-18-15/h3-8,10H,9,17H2,1-2H3
InChIKeyURMPRBHKKHYPRK-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.11
Rot. Bonds4

About [3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine

[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine (PubChem CID 107055933) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is [3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
PubChem CID107055933
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
SMILESCC(C)c1ccc(Oc2nccc(CN)c2Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-10(2)11-3-5-13(6-4-11)19-15-14(16)12(9-17)7-8-18-15/h3-8,10H,9,17H2,1-2H3
InChIKeyURMPRBHKKHYPRK-UHFFFAOYSA-N
XLogP4.11
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
CID 107055931
[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 107056201
[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 107055950
[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
(3-chloro-2-propoxy-4-pyridinyl)methanamine
CID 107056050
[3-chloro-2-(1-propylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 107056208
N-[[3-fluoro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391100
[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
CID 114264198
[4-chloro-2-(4-propan-2-ylphenoxy)phenyl]methanamine
CID 63456564
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391130
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine (CID 107055933) is [3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine is CC(C)c1ccc(Oc2nccc(CN)c2Cl)cc1.
What is the InChIKey of [3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine?
The InChIKey is URMPRBHKKHYPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10(2)11-3-5-13(6-4-11)19-15-14(16)12(9-17)7-8-18-15/h3-8,10H,9,17H2,1-2H3.
What are the key properties of [3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine?
[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine has a molecular weight of 276.77 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 107055933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).