(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine

C13H13ClN2O — CID 78996800

IUPAC(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-9(15)12-4-2-3-5-13(12)17-11-6-10(14)7-16-8-11/h2-9H,15H2,1H3/t9-/m1/s1
InChIKeyMMTFNISSKAOTKN-SECBINFHSA-N
MW248.71 g/mol
LogP3.55
Rot. Bonds3

About (1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine

(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine (PubChem CID 78996800) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is (1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
PubChem CID78996800
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccccc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-9(15)12-4-2-3-5-13(12)17-11-6-10(14)7-16-8-11/h2-9H,15H2,1H3/t9-/m1/s1
InChIKeyMMTFNISSKAOTKN-SECBINFHSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenoxy)phenyl]ethanamine
CID 43189173
1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine
CID 112678488
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
1-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 114069448
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine
CID 64602513
(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol
CID 78996799
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
CID 28551604
1-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]propan-2-amine
CID 81160569
2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
CID 21078394
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine (CID 78996800) is (1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine is C[C@@H](N)c1ccccc1Oc1cncc(Cl)c1.
What is the InChIKey of (1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine?
The InChIKey is MMTFNISSKAOTKN-SECBINFHSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9(15)12-4-2-3-5-13(12)17-11-6-10(14)7-16-8-11/h2-9H,15H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine?
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine has a molecular weight of 248.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine is sourced from PubChem (CID 78996800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).