5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine

C16H20BrN3 — CID 975753

IUPAC5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine
SMILESCCN(CC)c1ccc(CNc2ccc(Br)cn2)cc1
InChIInChI=1S/C16H20BrN3/c1-3-20(4-2)15-8-5-13(6-9-15)11-18-16-10-7-14(17)12-19-16/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyYKJWAZAPTHMAIX-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.30
Rot. Bonds6

About 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine

5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine (PubChem CID 975753) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine
PubChem CID975753
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine
SMILESCCN(CC)c1ccc(CNc2ccc(Br)cn2)cc1
InChIInChI=1S/C16H20BrN3/c1-3-20(4-2)15-8-5-13(6-9-15)11-18-16-10-7-14(17)12-19-16/h5-10,12H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyYKJWAZAPTHMAIX-UHFFFAOYSA-N
XLogP4.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine (CID 975753) is 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine is CCN(CC)c1ccc(CNc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine?
The InChIKey is YKJWAZAPTHMAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-3-20(4-2)15-8-5-13(6-9-15)11-18-16-10-7-14(17)12-19-16/h5-10,12H,3-4,11H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine?
5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine has a molecular weight of 334.26 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(diethylamino)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 975753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).