(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine

C14H15BrN2O — CID 114056639

IUPAC(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
SMILESCc1ccc(Oc2ncccc2[C@@H](C)N)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-9-5-6-13(12(15)8-9)18-14-11(10(2)16)4-3-7-17-14/h3-8,10H,16H2,1-2H3/t10-/m1/s1
InChIKeyZZUIBDZILFXIFN-SNVBAGLBSA-N
MW307.19 g/mol
LogP3.96
Rot. Bonds3

About (1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine

(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine (PubChem CID 114056639) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
PubChem CID114056639
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine
SMILESCc1ccc(Oc2ncccc2[C@@H](C)N)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-9-5-6-13(12(15)8-9)18-14-11(10(2)16)4-3-7-17-14/h3-8,10H,16H2,1-2H3/t10-/m1/s1
InChIKeyZZUIBDZILFXIFN-SNVBAGLBSA-N
XLogP3.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(2-bromo-4-chlorophenoxy)-3-pyridinyl]ethanamine
CID 114056638
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 114056631
(1R)-1-[2-(2-chloro-4-fluorophenoxy)-3-pyridinyl]ethanamine
CID 114056675
1-[5-methyl-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112649868
1-[2-(3-fluoro-4-methylphenoxy)-3-pyridinyl]ethanamine
CID 114056793
(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 78936782
3-amino-2-(2-bromo-4-methylphenoxy)pyridine-4-carbonitrile
CID 82812987
(2,4-dimethylphenyl)-(2-methoxy-3-pyridinyl)methanamine
CID 115605058
4-(2-bromo-4-methylphenoxy)-6-propan-2-ylpyrimidine
CID 61240355
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
(1S)-1-(2-cyclopentyloxy-3-pyridinyl)ethanamine
CID 103695133

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine (CID 114056639) is (1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine is Cc1ccc(Oc2ncccc2[C@@H](C)N)c(Br)c1.
What is the InChIKey of (1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine?
The InChIKey is ZZUIBDZILFXIFN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-5-6-13(12(15)8-9)18-14-11(10(2)16)4-3-7-17-14/h3-8,10H,16H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine?
(1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114056639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).