3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine

C14H15Br2N3 — CID 3640000

IUPAC3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine
SMILESCN(C)c1ccc(CNc2ncc(Br)cc2Br)cc1
InChIInChI=1S/C14H15Br2N3/c1-19(2)12-5-3-10(4-6-12)8-17-14-13(16)7-11(15)9-18-14/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeySZOZFUVAGXKUBG-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.28
Rot. Bonds4

About 3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine

3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine (PubChem CID 3640000) has the molecular formula C14H15Br2N3 and a molecular weight of 385.10 g/mol. Its IUPAC name is 3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine
PubChem CID3640000
Molecular FormulaC14H15Br2N3
Molecular Weight385.10 g/mol
Exact Mass382.96
IUPAC Name3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine
SMILESCN(C)c1ccc(CNc2ncc(Br)cc2Br)cc1
InChIInChI=1S/C14H15Br2N3/c1-19(2)12-5-3-10(4-6-12)8-17-14-13(16)7-11(15)9-18-14/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeySZOZFUVAGXKUBG-UHFFFAOYSA-N
XLogP4.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.28
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 3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine (CID 3640000) is 3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine is CN(C)c1ccc(CNc2ncc(Br)cc2Br)cc1.
What is the InChIKey of 3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine?
The InChIKey is SZOZFUVAGXKUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3/c1-19(2)12-5-3-10(4-6-12)8-17-14-13(16)7-11(15)9-18-14/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine?
3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine has a molecular weight of 385.10 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 3640000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).