5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine

C14H16BrN3O — CID 166807108

IUPAC5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine
SMILESCOc1ccc([C@H](C)N(C)c2ccc(Br)cn2)cn1
InChIInChI=1S/C14H16BrN3O/c1-10(11-4-7-14(19-3)17-8-11)18(2)13-6-5-12(15)9-16-13/h4-10H,1-3H3/t10-/m0/s1
InChIKeyDPAFHAHFKIJLMM-JTQLQIEISA-N
MW322.21 g/mol
LogP3.45
Rot. Bonds4

About 5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine

5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine (PubChem CID 166807108) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine
PubChem CID166807108
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine
SMILESCOc1ccc([C@H](C)N(C)c2ccc(Br)cn2)cn1
InChIInChI=1S/C14H16BrN3O/c1-10(11-4-7-14(19-3)17-8-11)18(2)13-6-5-12(15)9-16-13/h4-10H,1-3H3/t10-/m0/s1
InChIKeyDPAFHAHFKIJLMM-JTQLQIEISA-N
XLogP3.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine (CID 166807108) is 5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine is COc1ccc([C@H](C)N(C)c2ccc(Br)cn2)cn1.
What is the InChIKey of 5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine?
The InChIKey is DPAFHAHFKIJLMM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10(11-4-7-14(19-3)17-8-11)18(2)13-6-5-12(15)9-16-13/h4-10H,1-3H3/t10-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine?
5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-(6-methoxy-3-pyridinyl)ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 166807108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).