[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine

C14H15ClN2O2 — CID 107055931

IUPAC[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
SMILESCCOc1ccc(Oc2nccc(CN)c2Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-2-18-11-3-5-12(6-4-11)19-14-13(15)10(9-16)7-8-17-14/h3-8H,2,9,16H2,1H3
InChIKeyVHKMWYDZHFWVQE-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.38
Rot. Bonds5

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

[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine (PubChem CID 107055931) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is [3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
PubChem CID107055931
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
SMILESCCOc1ccc(Oc2nccc(CN)c2Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-2-18-11-3-5-12(6-4-11)19-14-13(15)10(9-16)7-8-17-14/h3-8H,2,9,16H2,1H3
InChIKeyVHKMWYDZHFWVQE-UHFFFAOYSA-N
XLogP3.38
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 107055933
[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 107056201
[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 107055950
[3-(4-ethoxyphenoxy)pyridazin-4-yl]methanamine
CID 80508075
[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
(3-chloro-2-propoxy-4-pyridinyl)methanamine
CID 107056050
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
[3-chloro-2-(1-propylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 107056208
[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
CID 114264198
5-chloro-2-(4-ethoxyphenoxy)pyridin-3-amine
CID 79021347
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391130
[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16792548

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine (CID 107055931) is [3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine is CCOc1ccc(Oc2nccc(CN)c2Cl)cc1.
What is the InChIKey of [3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine?
The InChIKey is VHKMWYDZHFWVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-18-11-3-5-12(6-4-11)19-14-13(15)10(9-16)7-8-17-14/h3-8H,2,9,16H2,1H3.
What are the key properties of [3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine?
[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine has a molecular weight of 278.74 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 107055931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).