2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine

C13H13ClN2O — CID 141407855

IUPAC2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine
SMILESNCCc1ccnc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H13ClN2O/c14-11-1-3-12(4-2-11)17-13-9-10(5-7-15)6-8-16-13/h1-4,6,8-9H,5,7,15H2
InChIKeyYQRSDHRZVNKNCV-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.03
Rot. Bonds4

About 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine

2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine (PubChem CID 141407855) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine
PubChem CID141407855
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine
SMILESNCCc1ccnc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H13ClN2O/c14-11-1-3-12(4-2-11)17-13-9-10(5-7-15)6-8-16-13/h1-4,6,8-9H,5,7,15H2
InChIKeyYQRSDHRZVNKNCV-UHFFFAOYSA-N
XLogP3.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenoxy-4-pyridinyl)ethanamine
CID 154870139
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
2-[4-[(4-nitro-2-pyridinyl)oxy]phenyl]ethanamine
CID 65362426
5-chloro-N-[2-[2-(4-chlorophenoxy)-4-pyridinyl]ethyl]-6-(difluoromethyl)pyrimidin-4-amine
CID 165361880
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
CID 118338803
6-(4-chlorophenoxy)pyridine-3,4-diamine
CID 129032482
[2-(4-fluorophenoxy)-4-pyridinyl]methanol
CID 61257536
N-[4-[[4-(aminomethyl)-2-pyridinyl]oxy]phenyl]methanesulfonamide
CID 135305160
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
CID 83134094

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine?
The IUPAC name of 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine (CID 141407855) is 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine.
What is the SMILES notation for 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine?
The canonical SMILES for 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine is NCCc1ccnc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine?
The InChIKey is YQRSDHRZVNKNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-11-1-3-12(4-2-11)17-13-9-10(5-7-15)6-8-16-13/h1-4,6,8-9H,5,7,15H2.
What are the key properties of 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine?
2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine has a molecular weight of 248.71 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine is sourced from PubChem (CID 141407855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).