4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine

C23H25BrN2 — CID 170594613

IUPAC4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CN(Cc2ccc(C)cc2)c2cc(Br)c(C)c(C)n2)cc1
InChIInChI=1S/C23H25BrN2/c1-16-5-9-20(10-6-16)14-26(15-21-11-7-17(2)8-12-21)23-13-22(24)18(3)19(4)25-23/h5-13H,14-15H2,1-4H3
InChIKeyCIYKHWKUMMWRAX-UHFFFAOYSA-N
MW409.37 g/mol
LogP6.28
Rot. Bonds5

About 4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine

4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 170594613) has the molecular formula C23H25BrN2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine
PubChem CID170594613
Molecular FormulaC23H25BrN2
Molecular Weight409.37 g/mol
Exact Mass408.12
IUPAC Name4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(CN(Cc2ccc(C)cc2)c2cc(Br)c(C)c(C)n2)cc1
InChIInChI=1S/C23H25BrN2/c1-16-5-9-20(10-6-16)14-26(15-21-11-7-17(2)8-12-21)23-13-22(24)18(3)19(4)25-23/h5-13H,14-15H2,1-4H3
InChIKeyCIYKHWKUMMWRAX-UHFFFAOYSA-N
XLogP6.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine (CID 170594613) is 4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine is Cc1ccc(CN(Cc2ccc(C)cc2)c2cc(Br)c(C)c(C)n2)cc1.
What is the InChIKey of 4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is CIYKHWKUMMWRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2/c1-16-5-9-20(10-6-16)14-26(15-21-11-7-17(2)8-12-21)23-13-22(24)18(3)19(4)25-23/h5-13H,14-15H2,1-4H3.
What are the key properties of 4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine?
4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 409.37 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 170594613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).