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

C15H17ClN2O — CID 102880442

IUPAC(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cncc(COc2ccc(Cl)cc2[C@@H](C)N)c1
InChIInChI=1S/C15H17ClN2O/c1-10-5-12(8-18-7-10)9-19-15-4-3-13(16)6-14(15)11(2)17/h3-8,11H,9,17H2,1-2H3/t11-/m1/s1
InChIKeyFBGVDJBXRCIBBQ-LLVKDONJSA-N
MW276.77 g/mol
LogP3.64
Rot. Bonds4

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

(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine (PubChem CID 102880442) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
PubChem CID102880442
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
SMILESCc1cncc(COc2ccc(Cl)cc2[C@@H](C)N)c1
InChIInChI=1S/C15H17ClN2O/c1-10-5-12(8-18-7-10)9-19-15-4-3-13(16)6-14(15)11(2)17/h3-8,11H,9,17H2,1-2H3/t11-/m1/s1
InChIKeyFBGVDJBXRCIBBQ-LLVKDONJSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
(1S)-1-[5-chloro-2-[(3,4-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78932855
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
(1S)-1-[5-chloro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78932663
(1S)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718705
(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 78933150
(1S)-1-[5-chloro-2-[(3-chloro-4-pyridinyl)methoxy]phenyl]ethanamine
CID 79014080
1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107715801
(1R)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718139
1-[5-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107879124
1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 107692930
1-[3-chloro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881647

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine (CID 102880442) is (1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine is Cc1cncc(COc2ccc(Cl)cc2[C@@H](C)N)c1.
What is the InChIKey of (1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
The InChIKey is FBGVDJBXRCIBBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-5-12(8-18-7-10)9-19-15-4-3-13(16)6-14(15)11(2)17/h3-8,11H,9,17H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine?
(1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-chloro-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102880442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).