1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine

C14H15ClN2O — CID 43118845

IUPAC1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
SMILESCOc1ccc(Cl)cc1C(N)Cc1ccccn1
InChIInChI=1S/C14H15ClN2O/c1-18-14-6-5-10(15)8-12(14)13(16)9-11-4-2-3-7-17-11/h2-8,13H,9,16H2,1H3
InChIKeySBBLLFOUDXBUAU-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.99
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine

1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine (PubChem CID 43118845) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
PubChem CID43118845
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine
SMILESCOc1ccc(Cl)cc1C(N)Cc1ccccn1
InChIInChI=1S/C14H15ClN2O/c1-18-14-6-5-10(15)8-12(14)13(16)9-11-4-2-3-7-17-11/h2-8,13H,9,16H2,1H3
InChIKeySBBLLFOUDXBUAU-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 43121506
[1-(5-chloro-2-methoxyphenyl)-3-pyridin-2-ylpropan-2-yl]hydrazine
CID 105199913
1-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 55031302
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 55135517
1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105140888
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001602
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine (CID 43118845) is 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine is COc1ccc(Cl)cc1C(N)Cc1ccccn1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine?
The InChIKey is SBBLLFOUDXBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-18-14-6-5-10(15)8-12(14)13(16)9-11-4-2-3-7-17-11/h2-8,13H,9,16H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine?
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine has a molecular weight of 262.74 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 43118845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).