(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine

C14H14BrFN2O — CID 103937813

IUPAC(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Oc2ccc(Br)cc2F)cn1
InChIInChI=1S/C14H14BrFN2O/c1-2-12(17)13-5-4-10(8-18-13)19-14-6-3-9(15)7-11(14)16/h3-8,12H,2,17H2,1H3/t12-/m0/s1
InChIKeyKRDRCAZUYWCJKF-LBPRGKRZSA-N
MW325.18 g/mol
LogP4.19
Rot. Bonds4

About (1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine

(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine (PubChem CID 103937813) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is (1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
PubChem CID103937813
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(Oc2ccc(Br)cc2F)cn1
InChIInChI=1S/C14H14BrFN2O/c1-2-12(17)13-5-4-10(8-18-13)19-14-6-3-9(15)7-11(14)16/h3-8,12H,2,17H2,1H3/t12-/m0/s1
InChIKeyKRDRCAZUYWCJKF-LBPRGKRZSA-N
XLogP4.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanamine
CID 83123834
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 104707911
(1S)-1-[5-(3-bromo-5-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938029
(1S)-1-[5-(4-chloro-3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938051
(1R)-1-[5-(4-fluoro-2-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103937946
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
(1S)-1-[5-(2,4-dibromophenoxy)-2-pyridinyl]propan-1-ol
CID 103939260
1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 114673855
1-[5-(2,4-difluorophenoxy)-2-pyridinyl]ethanamine
CID 83127520
(1R)-1-[5-(2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937883
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine (CID 103937813) is (1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(Oc2ccc(Br)cc2F)cn1.
What is the InChIKey of (1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is KRDRCAZUYWCJKF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c1-2-12(17)13-5-4-10(8-18-13)19-14-6-3-9(15)7-11(14)16/h3-8,12H,2,17H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine?
(1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 325.18 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).