(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine

C14H15BrN2O — CID 78937400

IUPAC(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1cc(Br)ccc1OCc1ccccn1
InChIInChI=1S/C14H15BrN2O/c1-10(16)13-8-11(15)5-6-14(13)18-9-12-4-2-3-7-17-12/h2-8,10H,9,16H2,1H3/t10-/m0/s1
InChIKeyBDTMWXJAHJCXSH-JTQLQIEISA-N
MW307.19 g/mol
LogP3.44
Rot. Bonds4

About (1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine

(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine (PubChem CID 78937400) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
PubChem CID78937400
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
SMILESC[C@H](N)c1cc(Br)ccc1OCc1ccccn1
InChIInChI=1S/C14H15BrN2O/c1-10(16)13-8-11(15)5-6-14(13)18-9-12-4-2-3-7-17-12/h2-8,10H,9,16H2,1H3/t10-/m0/s1
InChIKeyBDTMWXJAHJCXSH-JTQLQIEISA-N
XLogP3.44
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 55031302
(1R)-1-[5-bromo-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 79268203
(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992927
(1S)-1-(5-bromo-2-phenylmethoxyphenyl)ethanamine
CID 78937030
(1R)-1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 103954533
1-[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 62370180
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
CID 80601974
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 62378651
1-[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66157614
1-[5-bromo-2-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 63499604
(1R)-1-[5-bromo-2-(4-phenylbutoxy)phenyl]ethanamine
CID 104893814

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine (CID 78937400) is (1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine is C[C@H](N)c1cc(Br)ccc1OCc1ccccn1.
What is the InChIKey of (1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is BDTMWXJAHJCXSH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10(16)13-8-11(15)5-6-14(13)18-9-12-4-2-3-7-17-12/h2-8,10H,9,16H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine?
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 78937400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).