(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine

C14H15BrN2O — CID 78938373

IUPAC(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
SMILESCc1ccc(Oc2ccc([C@H](C)N)cc2Br)cn1
InChIInChI=1S/C14H15BrN2O/c1-9-3-5-12(8-17-9)18-14-6-4-11(10(2)16)7-13(14)15/h3-8,10H,16H2,1-2H3/t10-/m0/s1
InChIKeyNLFXFDVJIWDLDC-JTQLQIEISA-N
MW307.19 g/mol
LogP3.96
Rot. Bonds3

About (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine

(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine (PubChem CID 78938373) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
PubChem CID78938373
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
SMILESCc1ccc(Oc2ccc([C@H](C)N)cc2Br)cn1
InChIInChI=1S/C14H15BrN2O/c1-9-3-5-12(8-17-9)18-14-6-4-11(10(2)16)7-13(14)15/h3-8,10H,16H2,1-2H3/t10-/m0/s1
InChIKeyNLFXFDVJIWDLDC-JTQLQIEISA-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-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 55183060
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanamine
CID 55185347
(1S)-1-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 63369986
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
(1S)-1-[3-bromo-4-(4-propoxyphenoxy)phenyl]ethanamine
CID 63532122
1-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine;hydrochloride
CID 175550397
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273
(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 78944452
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893574
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 62911214

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine (CID 78938373) is (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine is Cc1ccc(Oc2ccc([C@H](C)N)cc2Br)cn1.
What is the InChIKey of (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
The InChIKey is NLFXFDVJIWDLDC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-3-5-12(8-17-9)18-14-6-4-11(10(2)16)7-13(14)15/h3-8,10H,16H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine?
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]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 (1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine is sourced from PubChem (CID 78938373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).