4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine

C14H21Br2N — CID 81470717

IUPAC4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCNCC(C)(C)CCc1cc(Br)c(C)cc1Br
InChIInChI=1S/C14H21Br2N/c1-10-7-13(16)11(8-12(10)15)5-6-14(2,3)9-17-4/h7-8,17H,5-6,9H2,1-4H3
InChIKeyMZIXLOIYYVIYBV-UHFFFAOYSA-N
MW363.14 g/mol
LogP4.70
Rot. Bonds5

About 4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine

4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 81470717) has the molecular formula C14H21Br2N and a molecular weight of 363.14 g/mol. Its IUPAC name is 4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID81470717
Molecular FormulaC14H21Br2N
Molecular Weight363.14 g/mol
Exact Mass361.00
IUPAC Name4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCNCC(C)(C)CCc1cc(Br)c(C)cc1Br
InChIInChI=1S/C14H21Br2N/c1-10-7-13(16)11(8-12(10)15)5-6-14(2,3)9-17-4/h7-8,17H,5-6,9H2,1-4H3
InChIKeyMZIXLOIYYVIYBV-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.14
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine (CID 81470717) is 4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine is CNCC(C)(C)CCc1cc(Br)c(C)cc1Br.
What is the InChIKey of 4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is MZIXLOIYYVIYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2N/c1-10-7-13(16)11(8-12(10)15)5-6-14(2,3)9-17-4/h7-8,17H,5-6,9H2,1-4H3.
What are the key properties of 4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine?
4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 363.14 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromo-4-methylphenyl)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 81470717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).