4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline

C15H20BrN — CID 63449070

IUPAC4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(C1CC1)C1CC1
InChIInChI=1S/C15H20BrN/c1-9-7-13(16)8-10(2)14(9)17-15(11-3-4-11)12-5-6-12/h7-8,11-12,15,17H,3-6H2,1-2H3
InChIKeyPOCGRQVNSZZJCB-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.67
Rot. Bonds4

About 4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline

4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline (PubChem CID 63449070) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline
PubChem CID63449070
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(C1CC1)C1CC1
InChIInChI=1S/C15H20BrN/c1-9-7-13(16)8-10(2)14(9)17-15(11-3-4-11)12-5-6-12/h7-8,11-12,15,17H,3-6H2,1-2H3
InChIKeyPOCGRQVNSZZJCB-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline (CID 63449070) is 4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NC(C1CC1)C1CC1.
What is the InChIKey of 4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline?
The InChIKey is POCGRQVNSZZJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c1-9-7-13(16)8-10(2)14(9)17-15(11-3-4-11)12-5-6-12/h7-8,11-12,15,17H,3-6H2,1-2H3.
What are the key properties of 4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline?
4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline has a molecular weight of 294.24 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline is sourced from PubChem (CID 63449070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).